|
List of Jounal Titles
A to Z index of Journal Title. Choose a letter.
Bunshi Kozo Sogo Toronkai Koen Yoshishu
2001
- The Quantum World Unveiled by Electron Waves.
- Femtosecond Spectroscopy and Photochemistry of Individual Organic Nanoparticles.
- Design and Development of Single-component Molecular Metal.
- Putting Endohedral Metallofullerenes into Carbon Nanotubes.
- All-electron calculations on proteins in the year 2020.
- In situ Structural Study of Electrochemically Deposited Pd Layers on Au Single Crystal Electrodes by Surface X-ray Scattering Measurements.
- STM study of structure control mechanisims on TiO2(110) by surface reactions.
- Fabrication and their structure of organic superlattices consist of bis (dionedioximato) platinum complexes onto ITO electrode.
- The three dimensional structure analysis at interface by surface X-ray diffraction.
- Odd-Even Effect of the Structure of the Monolayers of Alkanes and Their Binary Mixtures Adsorbed on Graphite.
- Local electronic states of CHF3 and CHCl3 molecules adsorbed on H2O/Pt(111).
- In situ Optical Second Harmonic Generation Studies of the Electronic Structure Changes at Solid/Liquid Interfaces.
- Electron interference in a potential of the organic/inorganic interface.
- Interaction between Surface of Nano-Sized Pores of a Porous Glass Chip and Azo Dye Produced by a NO2-Selective Reaction in the Pores.
- Superstructure phase transition and adsorption configuration change of thiol self-assembled monolayers.
- A theoretical study on orbital interacions in alkanethiolate self-assembled monolayers on Au(111) surface.
- Structural study of organic monolayers on solid surface by using a broad-band sum frequency generation(SFG) spectroscopy.
- Theory of Sum Frequency Generation spectra for liquid-vapor interfaces.
- Sum-Frequency Vibrational Spectroscopy of a Rubbed Polyimide Surface.
- Two-dimensional self-assembly of stable organic radical by Au-S interaction.
- Geometrical and electronic structures of organic/organic hetero-junctions of phthalocyanine/C60 interfaces.
- Electronic and Molecular Structures of Polyanionic C60 Fullerenes Bicapped by .GAMMA.-Cyclodextrin as Studied by ESR Spectroscopy.
- High spin state of a inclusion complex of a cyclic dimer of copper porphyrin with La@C82.
- Jahn Teller effect in corannulene and coronene monoanion.
- A study of the oxidative addition of H2 to RhX(CO)(PPh3)2 (X=Br,I) with para-hydrogen induced polarization NMR.
- Relativistic effects on nuclear magnetic shieldings.
- Distribution and Dynamics of Hydrogen in the Low-Temperature Phase of Mg2NiH4 Studied by Solid-State NMR.
- 2H-NMR analysis in orientational ordering field of main-chain liquid crystals having oxyethylene type spacers.
- Anomalous electrical and magnetic behavior of filled skutterudites LnRu4P12 (Ln=lanthanide).
- Theoretical study for a mechanism of superconductivity in MgB2. Quantum Chemical approach.
- High-Spin Pseudo Octahedral Co(II) Complexes with Hydrogen Bonding Network as Studied by CW-ESR Spectroscopy and Magnetic Susceptibility Measurements.
- Structures and Magnetic Properties of Nitronyl Nitroxide Derivatives Bearing Azaindole Rings.
- The metal-radical complexes of H-IN as ligand.
- Magnetic Properties of [Ph(NH3)](18-crown-6)[Ni(dmit)2] Salt Having Ladder Structure.
- Molecular quantum description of spin alignments in molecule-based ferrimagnets.
- .PI. topology and spin alignment on the excited states of the condensed polyaromatic-nitroxide radical systems.
- Evidence for Single Chain Magnets: Magnetic Behavior of Mn(III)-M(II) (M=Ni,Cu) One-dimensional Chain Compounds.
- Molecular structure of 1,1-dichloropropanone oxime by gas-phase electron diffraction.
- Structural and conformational studies of 5CB by gas electron diffraction.
- Structural Determination of Fragrant Molecules by Means of Gas Electron Diffraction: Isomenthol.
- Molecular Structure of Cotinine Determined by Gas Electron Diffraction.
- Fourier transform microwave spectrum of dipropargylether.
- Rotational spectrum of N-Methylpropionamide.
- Microwave Spectroscopy of FCCCN(V): Observation of ro-vibrational transitions between the .NU.4 and .NU.6+2.NU.7 states.
- Permutation-inversion group theory for dimethy1-methylphosphonate and analysis of its microwave absorption spectrum.
- Line Profile Measurements on CO in the submillimeter Wave Region Broadened by Rare Gases.
- The intermolecular potentials of open-shell radical complexes: Ne-SH, Kr-SH.
- Experimental Determination of Intermolecular Potential Energy Surface.
- Millimeter-wave spectroscopy of the H2-HCl cluster.
- Submillimeter-Wave Spectra of H2Cl+ and its Isotopic Species: Molecular Structure.
- Examination of band bending at C60/metal interfaces by Kelvin probe method.
- How large are the exchange-correlation effects in actual nearly free electrons? Inelastic x-ray scattering study of plasmon dispersion in metallic Li-NH3 solutions.
- Spatially modulated structure in the photostationary state of crystal.
- Development of ab initio wave packet dynamics.
- Development of multicomponent ab initio wave packet dynamics. Quantum dynamics for nuclear and electronic motion.
- Quantum reactive scattering calculations of the O(1D)+HCl reaction using the global ab initio potential energy surfaces of electronic excited states.
- Selective preparation of pure enantiomer from racemate based on quantum control theory.
- The wavepacket dynamics of two electrons in H2.
- New electronic states in intense laser fields. Light induced states and their origin.
- Quantum control of HOD vibrational dynamics by locally disigned laser field.
- Semiclassical theory of electronically nonadiabatic reactions: New implementation of TSH method with use of the Zhu-Nakamura theory.
- Semiclassical theory of the ground-state tunneling splitting.
- Bron-Oppenheimer picture of molecules in the view of classical mechanics.
- Hierarchical Regularity in Transition States: Neither Diffusive nor Ballistic Transition.
- Quantum Energy Density.
- Higher-order correlation functions of a harmonic oscillator nonlinearly coupled to the thermal bath.
- Kramers-Fokker-Planck equation under the Molecular Heat Bath in Polyatomic Molecules.
- Quantum mechanical operator-based reformulation of path integral centroid molecular dynamics method extended to the Bose and Fermi statistics.
- Tsallis statistical distributions in acetyl radical non-RRKM behavior and protein folding.
- Light scattering microspectroscopy of single gold nanoparticles. (2): Particle size, shape, and surrounding media dependence of surface plasmon resonance.
- Surface dynamics of HCOO-/Ni(111): The observation by time-resolved SFG spectroscopy.
- Dependencies of surface stress on adsorption process of oxygen on Cu(001) and Cu(001)-2.RAD.2*.RAD.2-O.
- Structure transformation of Pt(110) under steady-state CO oxidation; an angular and velocity distribution study of desorbing product CO2.
- Anglar distributions of desorbing N2 in N2O decomposition on Rh(110) and Pd(110).
- The dynamics of capillary wave at gas/liquid interface.
- The influence of work function change of metal substrate on methane photochemistry.
- Single molecule reaction and vibrational spectroscopy using inelastic tunneling electrons.
- Infrared Emission Spectrum from Molecular Hydrogen Excited via the Formation Pumping Mechanism on the Surfance on Interstellar Dust.
- The Reactions of Photogenerated Carriers in TiO2 Photocatalyst Studied by Time-resolved Infrared Absorption Spectroscopy.
- Construction of a multiplex infrared-visible sum frequency generation spectrometer with wavelength tunability of the visible probe.
- Dynamical effects of adsorbates on vibrational relaxation of zeolite's surface hydroxyl group.
- Electrode Dynamics Monitored by Potential Modulated Surface-Enhanced Infrared Spectroscpoy: Charge Transfer in The CO/Rh System.
- Surfaced enhanced Raman scattering of o-, m-, and p-nitrophenols: Spectral analysis by density functional theory.
- Single Molecule Detection with SERS.
- ATR-Scanning Near-field Raman Microscopy.
- Molecular photoionization studied by velocity imaging photoionization coincidence technique.
- Predissociation dynamics of HCP.
- Production mechanism of H(4p) by electron impact on trifluoromethane.
- Recent progress on molecular soft x-ray spectroscopy at UVSOR: (1). Doubly excited states in the K-shell excitation of N2.
- Symmetry-resolved spectra of core-excited Renner-Teller pair states in CO2.
- Site-Specific Fragmentation of 1,1,1-Trifluoro-2-Propanol Chemisorbed on a Si(100) Surface.
- The interferrence in the predissociation of the Cs2 molecules.
- Orientation of neutral molecules by the combination of electrostatic and laser fields.
- Time-dependent molecule-electron re-collision in strong laser field.
- Fragmentation dynamics of aniline ions and size-selected aniline-ammonia cluster ions in intense laser fields.
- Discrimination of "dynamic" chirality by Coulomb explosion imaging.
- Coulomb explosion of linear molecule induced by an intense femtosecond laser.
- The electronic transition moment of TiO(C3.DELTA.-X3.DELTA.).
- Laser-induced fluorescence of the CHXCFO (X=F,Cl) radicals.
- New assignments of the Swan system of C2.
- Perturbation-facilitated optical-optical double resonance spectroscopy of the 1u(1D) and 2u(1D) ion-pair states of I2 through the parity mixing intermediate state.
- Nanoparticulate as a molecule: Preparation and characterization of a nanoparticle crystal.
- Chemical interactions of carbon nanotubes and rare gases such as He.
- Photo-induced triplet carbene in a crystal-direct observation by X-ray crystallography.
- Structure study of Triacylglycerol(TAG) which consists of unsaturated acyl function.
- Pressure-induced structural changes in single-component organic molecular crystals.
- Dynamic structure and electric conductivity of Li3MB2O6 (M=Al,Ga,In).
- .MU.SR studies on dynamics of the interstitial hydrogen atom in boron nitride.
- Hydrogen Transfer in a 1:2 Salt of Chloranilic Acid and 1,3-Diazine.
- Physical Properties of Hydrogen in Pd Nanoparticle.
- Raman spectra of .ALPHA.-ET3(ReO4)2.
- Molecular vibrational analysis of the charge distribution in BEDT-TTF based salts.
- The reflective spectra and crystal structures of quasi-1D conductors BDTFP salts at low temperature.
- Electron and Proton Conductions in a Coordination Polymer.
- Neutral-ionic phase transition and phase control in TTF-p-penzoquinone system.
- Non-linear Transport Property of Neutral-Ionic Phase Transition System.
- Measurement of thermally excited 4f-state and the mechanism of 4f-electron flow in the Kondo crystal CeB6 by multi-temperature X-ray diffraction.
- Theoretical Analysis of the -CH and -OH Overtone Vibration Spectra.
- Analysis of physico-chemical meaning of rotational polynomial of alkanes.
- Ab initio through-space/bond interaction analysis of the rotational barrier in organic molecules.
- Does the intermolecular CH/.PI. interaction exist? Comparison of the interactions in methane-unsaturated hydrocarbons with those in methane-saturated hydrocarbons.
- Reason Why Aromaticity/Antiaromaticity Takes Place in Cyclic Conjugated Hydrocarbons.
- Quantum Chemical Study of Structure-Color Correlation of Molecular Electronic Spectra. Spectrochemical Softness.
- Electronic structures of gold nanowires.
- Electronic Relaxation Effect on Image Force Correction Term of Dipped Adcluster Model.
- Theoretical study of the electronic spectra of the cluster complex, [Re6S8Br6]4- and [Re6S8Cl6]3- in a crystal.
- The new method for the direct calculation of diabatic states.
- Tunneling dynamics on intramolecular proton transfer of malonaldehyde with ab initio full dimensional potential energy surface.
- Proton transfer reaction in 5-methltroporone.
- A theoretical study on the electronic structures at the conical intersections of stilbene and styrene.
- Electronic strucuture of NiCN; an ab initio molecular orbital study.
- Fine analysis of the spectroscopy for the multi-electron processes: SAC-CI general-R study.
- Study on the Rydberg series of ethylene by MRCISD.
- Design of photomagnet using octacyanometalate as a molecular building block.
- Electric Field Effects on Charge Transfer, Charge Transport and Charge Recombination.
- Photoinduced cooperative phenomena. From a view point of cooperative photo-reactions.
- Photochromism. Physical and chemical properties and their origin.
- Possibility of photo-induced superconductivity.
- Theoretical Study on Structural Features of Endohedral Metallofullerenes.
- Theoretical Study of Hydrogen Transfer Reaction in PhOH-(NH3)n Clusters; Electronic State and Potential Energy Surfaces.
- Study of structural fluctuation of supercritical benzene and ctclohexane by small-angle X-ray scattering.
- Formation mechanism of silicon hydride clusters.
- Photo-Induced Reactions of Porphyrin Complex Ions with Electrospray Ionization.
- Solvation structures of alkali metal-methacrylic ester-water clusters: Stereo selectivity of intracluster oligomerization reaction.
- Photochemical synthesis of new organometallic clusters: geometrical structures and magnetic properties.
- Structures and electronic properties of an electron-beam irradiated C60 film.
- Photodissociation spectroscopy of Mg+(NH3)n.
- Excess electron states in aromatic molecular nano-clusters.
- Picosecond time-resolved IR spectra of photo-excited phenol/ammonia clusters. Examination of the mechanism of excited state hydrogen transfer.
- Picosecond IR-UV time resolved spectroscopy for the vibrational relaxation of phenol and its clusters in the ground state.
- Vibrational-energy transfer in a liquid microdroplet following infrared pulsed-laser excitation.
- Development of single-particle detection technique and observation of fine oil droplets dispersed in water.
- Formation of manganese nanowires and their magnetism.
- Construction of a binary (e,2e) apparatus with position-sensitive detectors and its application to dicarbonyl compounds.
- Time-resolved photoelectron imaging on pyrazine: Spectroscopy of 3s and 3p Rydberg states.
- Electron correlation effects studied by gas-phase x-ray scattering experiment.
- Attosecond wave-packet engineering. Development of attosecond ultraprecise control of wave-packet interference.
- Development of a far-field super-resolution microscopy using a two-color dip spectroscopy. (III). Application for the the Scanning Type Microscope.
- IR spectroscopy of jet cooled aniline in the S1 state.
- Structures of fluoropyridines-water clusters. Comparison with abinitio calculation.
- Electoronic spectra of mic molecular at isolated state.
- Synthesis and photophysical properties of [60]fullerene-oligo(thienylene-ethynylene) dyads.
- Spectroscopy and excited state dynamics of benzophenone ketyl radical.
- Jet spectroscopy of aluminum containing compounds.
- High resolution spectroscopy of naphthalene in the magnetic field.
- Doppler-free two-photon absorption spectroscopy and its Zeeman effect of the A1B2u (v14=1, v1=1).LAR.X1A1g (v=0) band of benzene.
- Initial vibrational state dependence of photodissociation branching ratio: Bond-selctive photodissociation of partially deuterated ammonia.
- Photoionization probes of the excited-state dynamics of aromatic clusters.
- The Structure and the S1- and S2-electronic-state Dynamics of Pyrene-Benzene 1:1 Complex.
- High Resolution Infrared Absorption Spectroscopy of Qn(0) Transitions of Solid Parahydrogen.
- Rotational constant of molecules in solid hydrogen.
- Fourier Transform Infrared Emission Spectroscopy of NeH+ and NeH.
- Vibrational Spectra of the Radical Cation of 2,5''''-Dimethylquinquethiophene and the Dication of [2.2]Quinquethiophenophane.
- Observation of Raman Spectra of HObt and HOObt and the Simulation Based on Density Functional Theory.
- Measurements of polarization spectra using non-polarized ray.
- Infrared band profile with dips and phase transition in ammonium dihydrogen phosphate.
- Molecular orientation in Langmuir-Blodgett films of palmitoyl-D,L-ornitine and palmitoyl-D,L-lysine Examination by IRAS method.
- Pressure effects on intermolecular interactions in charge-transfer complexes between hydroquionone and halosubstituted p-benzophenones.
- Structures, magnetic and conducting properties of new charge-transfer salts consisting of BEDT-TTF column and 1-D Mn(II) network.
- Electrical and Magnetic Properties of ET/MnClx/solv Systems.
- Development and physical properties of new organic metal magnets with halogenated-donor.
- The crystal structure, conductivity and magnetic properties of (BDT-TTP)5[Ln(NO3)5](Ln=Eu,Sm,...)salts.
- A novel metal-insulator transition in (EDO-TTF)2X(X=PF6,AsF6) and the physical properties and crystal structures of (EDO-TTF)2ClO4, (EDO-TTF)4(Sb2F11)0.85(H2O)4.
- Organic superconductors under pressure from non-TTF donor DODHT.
- Tetrathiapentalene derivatives having long alkyl chains.
- Theoretical study for the description of interaction between solute and solvent molecules: spectral representation technique.
- Vibrational polarization of molecules and field-generating modes in solution.
- Theoretical study of the solvent effect in the excited states using the QM/MM method.
- Hybrid QM/MM molecular dynamics simulations for the reactions in the supercritical water.
- Transition State Variation in Intramolecular Rearrangement Reactions.
- Ab initio MD simulations on chemical reactions.
- Ab initio MD simulation study on the collision reaction of ammonia cluster ions.
- Theoretical study for Nitrogen Fexation reaction of iron-sulfur protein.
- Enzyme reaction mechanism in Serine protease.
- Theoretical study for electron transfer of photosynthetic reaction center in purple bacteria Rhodopseudomonas viridis.
- Theoretical analysis of thermal stability and denatured state of protein from MD simulation and free energy calculations.
- An analysis of interaction between amino acid residues in proteins by fragment MO method.
- Development of an integrated system to support automatic calculation for all-electron wavefunction on proteins.
- Structures of molecules dissolved in liquid crystals.
- Structure and Dynamics of Ionic Liquids.
- Mixing Schemes in Aqueous Solutions. Thermodynamic Approach.
- Neutron scattering study on structural diversity of aqueous solution.
- Molecular dynamics study of structure and dynamics of supercritical water.
- Structure Chemistry on Fluctuation.
- Inside structure of single-wall carbon nanohorn aggregates and its relation with formation condition.
- Geometric and electronic structures of lanthanides-silicon mixed clusters.
- Generation of gas-phase poly-metallocene clusters using photodissociation reaction of metallocenes.
- Formation process of single-walled carbon nanotubes. Comparison with the formation process of fullerenes.
- Synthesis of Single-Wall Carbon Nanotubes by CCVD method.
- Electronic Properties and Structural Characterization of C36H4 compound.
- Single-Wall Carbon Nanotubes as Nanoreactors.
- Structure and Electronic states of Ce2@C72 metallofullerene.
- Spectroscopy of individual light-harvesting complexes.
- The Dihydrogen Bond-Hydrogen bonding between oppositely charged hydrogen atoms: Spectroscopy and Structure.
- Photofragment detected IR spectroscopy for the OH stretching vibrations of the hydrogen-bonded clusters in the S1 state.
- Solvation structures of 4-aminobenzonitrile-(H2O)1 clusters. Observation of three structural isomers.
- Structures and excitation exchange plittings of benzene trimer and tetramer.
- The development of the picosecond time-resolved UV-IR double resonance spectroscopy and time-resolved IR spectra of the hydrogen-bond clusters in a supersonic jet.
- Structure of methyl fluoride clusters in a supersonic jet studied by matrix-isolation infrared spectroscopy.
- Structures and vibrational spectra of the methyl fluoride clusters.
- Mechanism of parent ion formation with an intense femtosecond laser.
- Photodissociation dynamics of gas-phase I3- studied by an imaging technique.
- Femtosecond simultaneous atomization and ionization for chemical analysis: Dependence on the laser intensity and substrate materials.
- Substituent effects on the proton dissociation reaction of m- or p-substituted anilines in the excited state.
- Excited state dynamics of tris-(2,2'bipyridine)ruthenium(II); Fluorescence upconversion study.
- Impulsive stimulated Raman scattering and transient grating signal of S1 trans-stilbene.
- Two dimensional three pulse photon echo.
- Exciton Dynsmics of BIG J-Aggregares Studied by Third-Order Nonlinear Optical Spectroscopy and Numerical Simulation Based on Exciton Theory.
- Multiphoton-gated photochromic reaction in diarylethene derivatives.
- Temperature dependence of the photosynthetic primary charge separation: about photosystem I reaction center.
- Energy releasing process of protein after photoexcitation.
- Near-IR transient absorption of electrons in nano-crystalline semiconductor film injected from excited adsorbed molecules.
- The measurement of the diffusion constants of the radicals in supercritical alcohols.
- Time-resolved EPR Studies on the Excited States of the High Spin Molecules.
- Excited-State Double Proton Transfer Reaction of 7-Azaindole Dimer with C2h(M) Symmetry.
- Measurements of Electroabsortion and electrofluorescence spectra and Photoexcitation dynamics of Linked Porphyrin arrays.
- Novel resonance Raman enhancement of the solvation structure around the solvated electron.
- Vibrational Spectra of Polarons and Bipolarons in Doped Polythiophenes.
- Vibrational energy redistribution in side chain modes of nickel-porphyrin.
- A Time-resolved Infrared and a Sample-Sample two-dimensional Correlation Spectroscopic Study of dynamical behavior of a Ferroelectric Liquid Crystal During Electric-Field-Induced Switching Between Two Surface-Stabilized States.
- Molecular association in a nematic liquid crystal: Detection of 5CB monomer by infrared electroabsoption spectroscopy.
- Anisotropic CARS: detection of photoinduced anisotropy and measurement of reorientational relaxation.
- Study of associated structure of N-methylacetamide in solution by IR electroabsorption spectroscopy.
- Dependence of Geometrical-Structure and Charge-Distribution of Solute on Solvation Dynamics: Studied by RISM Theory.
- Dynamics of Microscopic solvent environment studied by vibrational bandshape analysis: Solvent and temperature dependence of the C=O stretch mode vibrational bandshape of acetone.
- Long- and short-range inhomogeneities of molecular distribution in supercritical region. Density dependences of translational, rotational, and vibrational motions and their correlations to thermodynamic values.
- Hydrogen bonding between water and aromatic hydrocarbons at high temperatures and pressures.
- Observation of power law in FIR absorption spectra of biopolymers.
- Molecular glasses and supecooled liquids as studied with optical mesurements.
- Orientational Correlation in Simple Molecular Liqueds Studied by Neutron Diffraction.
- Structure of supercooled water.
- Observation of the interactions berween electron and water molecules in condensed phase by measuring stimulated Raman scattering under strongly focusing condition.
- Magnetic properties of cyano-bridged rare-earth metals complexes.
- The first observation of spin transition in six-coordinate manganese(II) compound.
- Electrical and structural study of single component molecular conductors containing magnetic metals.
- Preparation and characterization of neutral gold complexes with extended TTF ligands.
- Structure and Physical Properties of the Partially Oxidized TPP[Co(1,2-Nc-C4h)(CN)2]2(TPP=tetraphenylphosphonium).
- Crystal Structure and Electrical Properties of the Phthalocyanine Conductor, [PXX]x[Co(Pc)(CN)2] (CH3CN)y.
- Pressure induced and photo induced phase transition of 1-D iodine bridged binuclear platium complexes.
- Temperature Dependence of Valence-Ordering State and Synchrotron Radiation Low-Temperature Crystal Structure Analysis of One-Dimensional Halogen-Bridged Mixed-Valence Diplatinum(II,III) Complex, Pt2(EtCS2)4I.
- Structure of the exact wave function: Ground and excited states by exponential ansatz.
- The correlation functional based on HF 2nd-order density matrix.
- Theoretical Study on Heavy Element NMR Chemical Shifts. Effects of Relativistic theory and Electron Correlation.
- The analysis of vibrational excited wave functions calculated by ab initio NO+MO method.
- BSSE-free Locally Projected second order Perturbation theory for molecular interaction.
- A simple calculation of Talmi coefficients of Laguerre-Gaussian-type functions.
- Parallel computation of the electron repulsion integral.
- Recent Advances in Many-Electron Wave Function Theory.
- Multi-reference based cluster expansion theory.
- Many electron theory for accurate quantum chemistry.
- multi-reference coupled pair approximation.
- Quantum Chemical Theory for the Excited States and Property of Large Molecular Systems.
- Structure and electronic properties of single large molecules on solid surfaces.
- Design and synthesis of molecules for molecular electronic devices.
- Nanowire structures of ion-recognized molecular assemblies.
- Alkoxo bridged metal complexes with high-spin ground state.
- Molecular structure of 4,4'-dichlorodiphenyl disulfide as determined by gas electron diffraction.
- Microwave spectra of thiophenol and thioanisole.
- Microwave spectra of freon (R-12 and R-125).
- Microwave spectrum of reaction products of acetylchloride and silverthiocyanate.
- Microwave spectroscopy of NiBr.
- Microwave Spectroscopy of CuF and AgF generated by the sputtering reaction in the highly excited vibrational states.
- Fourier Transform Microwave Spectroscopy of TiCl.
- Intermolecular potential energy surface of Ar-SH and Ar-SD.
- The analysis of the hyperfine structure of the water-oxygen complex.
- Submillimeter spectra of the HCS and DCS radicals.
- Fourier transform millimeter-wave spectroscopy of the ethyl radical. II.
- Millimeter-wave spectroscopy of transient molecules produced by UV laser photolysis technique in pulsed supersonic jet expansion.
- Millimeter-wave Spectroscopy of the internal rotation band of the He-DCN cluster.
- Investigation of Local Structure and Dynamics of Thermotropic Liquid-Crystalline Polymers Using High-Resolution Solid-State 13C Nuclear Magnetic Resonance Spectroscopy.
- The dynamics of small n-alkanes and n-alcohols adsorbed in the micropore of [Co(en)3]Cl3 as studied by 13C CP/MAS NMR and 2H NMR.
- 2H NMR spectrum and spin-lattice relaxation time in paramagnetic [Mn(H2O)6][SiF6].
- 87Rb NMR Study of Single Crystal Rb2Pb[Cu(NO2)6].
- The motion of water molecules in metal(II) hexachloroplatinate(IV) hexahydrates.
- Temperature Dependence of 35Cl NQR frequencies in piperidinium and pyrrolidinium p-Chlorobenzoate.
- Analysis of 63Cu and 109Ag NMR Chemical Shieldings for CuX and AgX crystals by ab initio MO calculations.
- Theoretical Analysis of 29Si NMR Chemical Shift for Silicon Compound Crystals.
- The study of 13C-NMR of Eu@C74.
- The study of 13C-NMR of Ca@C82,Eu@C82 and Tm@C82.
- Pulsed ESR measurements of lanthanum metallofullrenes.
- Cage effects of endhedral metallofullerenes.
- Cw and pulsed ESR study of polyanionic high-spin states of decacyclene.
- Parametric Excitation magnetic Resonance Spectroscopy.
- Quantum beats of radical pair spin-state population induced by high intensity short microwave pulse irradiation.
- Ziegler-Natta catalysis reactions and role of cocatalysis.
- Molecular Dynamics Calculations for Large Cluster System by IMiCMO method.
- Theoretical study of low-lying electronic states of GdO.
- Theoretical study of electronic structures of UX3, UX4, UX6 (X=F,Cl,Br,I)using model core potentials.
- Theoretical Study on Stable Structures of Benzene Trimer Cation.
- On the Electronic Structure of the 32.SIGMA.+ Excited State of SiO+.
- Molecular dynamics simulation with charge response kernel: Infrared and Raman spectra of liquid water and N-Methylacetamide in aqueous solution.
- Electronic structure and solvation structure of [Ru(NH3)6]+2/+3 in solution (IMS).
- Theoretical study about pKw in liquid water and supercritical water.
- New method for solving vibrational states based on genetic algorithm. Application for multi-dimensional systems.
- Theoretical study on anormalously broad bands of hydrogen-bonded complexes.
- Theoretical Calculation of IR spectra of endohedral metalofullerene.
- Improving non-variational CCSD method in bond-breasking systems.
- Relativistic effect to dissociation energy curves of transition metal hydrides: Effect of f function.
- Theoretical study on the ionization spectra of molecules using the SAC-CI general-R method: fine analysis of the satellite peaks.
- An ab initio molecular orbital study of electronic states and spectroscopic constants for FeNC/FeCN.
- Optimization of excited state wave functions with fully variational molecular orbital method. (1). Development with RPA technique.
- Spin-orbit multi-state multi-reference theory and application.
- Rapid calculation of Coulomb interactions for three-dimensional systems with two-dimensional periodicity.
- Geometry optimization by Hamiltonian Algorithm.
- An analysis of interlayer interactions in graphite slabs.
- Generalized Multireference Epstein-Nesbet Perturbation Theory: Formalism and Applications.
- A Multicanonical Monte Carlo Study of the Liquid Solid Phase Transition of Argon.
- Theoretical study for combustion reaction, OH+OH.
- Time-dependent Adiabatic State Analyses of Molecular Deformations Induced in Intense Laser Fields. The Application to CO2 Moleculars.
- Theoretical Study on inverse Diarylethene.
- Outline of the Quantum Molecular Dynamics Program Package "GAMERA2001".
- Optimization of the excited States by means of the FVMO method. (2). Approach using the ROHF method.
- Control of molecular processes by a train of linearly chirped pulses.
- An examination for the reaction pathways of IO+XO (X=Cl,Br) reactions.
- Theoretical study on the oxidation of isoprene (the third step: reaction with NO).
- Theoretical Study on the Non-adiabatic Transition Processes in the Photodissociation of HCl.
- Theoretical Study on the pathways of N2 coordinated transition metal complex.
- Theoretical Study on Photochromic Reactions of 3-furyl fulgide and 3-thienylethene.
- Theoretical studies on the transition state of the pericyclic reactions.
- A theoretical analysis of vibrational motions of CO2 in resonant core-excited states.
- Transition state structures of Diels-Alder reactions in solution; Analysis by DFT-GB method.
- Control of the hydrogen transfer by STIRAP. 2 dimensional asymmetric double well potential model.
- Theoretical Study of the Photoisomerization of Azobenzene.
- Quantum laser control in the presence of incoherent excitation: Application to desorption induced by multiple electronic transitions of NO from metal surfaces.
- A theoretical study of the interaction between the internal rotation and the proton transfer in 5-methyl-9-hydroxyphenalenone. (2).
- Two-electron Density Matrices of Magnetic Molecules from Generalized Hartree-Fock calculations.
- Theoretical study of nuclear magnetic shielding constants and NMR chemical shifts of compounds include heavy elements.
- The theoretical study of ground and excited states of transition metal silicides.
- Electronic excited states and third-order nonlinear polarization of fused and meso-meso-linked porphyrin arrays.
- Many-band effects in superconductivity.
- The Semi-empirical MO Calculation of Absorption Wavelengths for Organic Compounds Using Improved New-.GAMMA. Equation.
- Theoretical study of magnetism in vanadium oxides.
- A Molecular Dynamics Study of the Free Energy Profile of Water Permeation through the DMPC Bilayer.
- Theoretical Study on the Visualization method for the Two-Photon Absorption(TPA) of Symmetric .PI.-conjugated Molecules.
- Electric conductivity of .ALPHA.''-(ET)2K1.4Co(SCN)4 under the uniaxial strain.
- Characteristic Structural and Conducting Feature of Dihydrothiophene Extended Ddonor-Based Organic Conductors.
- Synthesis and Properties of TTP Type Donors with Aromatic Ring inserted.
- Synthesis and properties of new TTP donors substituted with alkyl groups.
- Structures and properties of new organic conductors based on selenium analogues of TTP type donor.
- Synthesis and properties of new C60 derivatives covalently linked with TTF system.
- Synthesis and properties of a sulfur-substiuted analogue of DODHT.
- Synthesis, structures and properties of a tetrathiapentalene donor with an ethylthio group, C2TEO-TTP.
- Structure and physical properties of (EDS-TTF)2FeBr4.
- Synthesis, Crystal Structure and Physical Properties of New Molecular Conductors Based On Lanthanidnitrate Complex Anions.
- Syntheses, structures and physical properties of TTF derivatives containing organic radical.
- Synthesis, structure and physical properties of PROXYL radical containing donors.
- Solid state structures and electrical properties of neutral radical crystals of dicyano(2,3-naphthalocyaninato)cobalt(III).
- Construction and electronic properties of molecular nanowires based on dialkylmacrocyclic TTF F4TCNQ complex.
- Formation and structure of Langmuir monolayers of macrocyclic TTF with organic acceptor.
- Morphology change associated with ion recognition of nanowire of dialkylmacrocyclic bis TTF.
- Control of [Ni(dmit)2] arrangements by (diammonium)2+(crown ether)2 Supramolecular Cations in the crystals and their physical properties.
- Structural and Electrical properties of the Ni(dmit)2 salts with cations forming one-dimentional chain structure.
- Molecular Assemblies of Transition Metal Complexes with Mixed-valence Ligands.
- Synthesis and electrochemical characterization of bis(triarylamine) derivatives.
- Structure and Physical Properties in the Assembled Metal Complexes of .PI.-Extended Hexahydroxytriphenylene.
- Structures and Dielectric Properties of Novel Copper(II) Complexes.
- Creation of soliton in the halogen bridged one-dimensional complexes which consists of the Pt(II)-Pt(IV) chain and Cu(I) chain.
- Electron spin dynamics in 1-D mixed-metal complexes [Ni1-xPdxBr(chxn)2]Br2 Studied by solid NMR.
- Resonant soft-x-ray emission spectra of planar nickel complexes.
- Ultraviolet Photoelectron Spectra of Linear Carbon Chain Molecules.
- Comprehensive studies of electronic structures of the systems comprised of fluorine and carbon by means of ultraviolet photoelectron spectroscopy, vacuum ultraviolet absorption and polarized soft X-ray absorption: [C(CF3)=C(CF3)]n, CF, C2F, C6F, n-CnF2n+2, (CF2)n, C60Fx, and C70Fx.
- Resonant photoelecttron spectroscopic study of a rare-earth borocarbide LaB2C2.
- Soft X-ray radiation effect of DNA components.
- Study of electron states of fullerene derivatives by Atomic Force Microscopy.
- IRRAS and LEED Studies on the Films of a Long Chain n-Alkane. The Difference between Film Structures on Cu(100) and Cu(110).
- An Infrared Reflection Absorption Spectroscopic Study on Adsorption Structures of a 1,3,5-Triazine-2,4-dithione Derivative on Metals.
- Adsorption structure of 1,3-butadiene on Pd(110).
- A Needle-like Organic Molecule Imaged by Noncontact Atomic Force Microscopy.
- The hydration structure of cation on Ru(001) surface.
- Structural change of a self-assembled monolayers of 1-pyrenehexadecanoic acid on graphite investigated with an STM.
- Surface Morphology of Oxacarbocyanine Mixed Monolayer on Water Subphase and Solid Substrate and Electroabsorption Spectrum.
- Structural Investigation of Organic Thin Layer Surfaces by Sum Frequency Generation.
- Growth of a well-oriented layer of Disperse Red 1 and Coumarin on (010) plane of a glycine single crystal.
- Observation of organic crystal and thin film with SHG-detected microscopy.
- Formation dynamics of bilayer lipid membranes studied by transmitted light images.
- Formation and Properties of Multilayers of Au Nanoclusters Covered by Self-Assembled Monolayers Containing Ferrocene and Carboxylate Groups.
- In-situ observation of formation process of self-assembled monolayers with simultaneous measurement of surface plasmon resonance spectroscopy and second harmonic generation.
- High pressure 129Xe NMR study of adsorption characteristics of Xe in some molecular sieves.
- The deuterium-edge-termination effects on the electronic structure of a single-layer graphite nanocrystal.
- Sum-frequency vibrational spectroscopy of oxide/PMMA interface.
- Influence of Defects on Ultrafast Carrier Dynamics at Amorphous Silicon Surfaces.
- Local electronic structures of surface chemical bonds studied by soft X-ray absorption spectroscopy and soft X-ray emission spectroscopy.
- Time domain observation of surface phonon by a time-resolved SHG measurement.
- Theoretical study on the cathodic deposition of metal atoms at boron-doped diamond electrodes.
- Photoemission spectroscopy of organic/inorganic interface. I: Fermi level shift effected by the interface dipole layer.
- Photoemission spectroscopy of organic/inorganic interface. II: spectral band width.
- Laser Photolysis Studies on Triplet Energy Transfer with Endothermic Systems in Solutions.
- Dynamics of protein folding studied by the transient grating.
- The photoisomerization dynamics of protonated retinal Schiff base probed by ultrafast time-resolved spectoroscopy.
- Stepwise double proton transfer reaction in the excited state of the 2-aminopyridine/acetic acid system: Temperature dependence of proton transfer rates.
- Photochemical and Photophysical Properties of Poly(methylphenylsilane). Functionalized with 4-Hydroxy-4'-nitroazobenzene as Pendant Groups.
- Deactivation Pathway from the Triplet Excited State of Pyrrole-2-carboxyaldehyde and Its Derivatives.
- Magnetic Field Effects on the Fluorescence of Acceptor-doped Poly(N-vinylcarbazole) Films.
- Magnetic field effects on the thermal reactions of benzyl halides with n-butyllithium in hexane.
- Excited states dynamics of dimethylamino substituted aromatic ketone in a supersonic jet.
- Time-resolved absorption and Raman studies of formation dynamics of solvated aromatic cation radicals following photoionization.
- Relaxation dynamics of indigo carmine excited singlet state.
- Femtosecond Pump-Probe Spectroscopy of Cytochrome c.
- Study on the relaxation processes of highly excited singlet naphthalene in condensed phase.
- Reorganization energy for long-range electron transfer reaction in zinc-porphyrine-quinone system.
- Excited State Dynamics of 4,4'-bis(dimethylamino)benzophenone.
- Attosecond wave-packet engineering. Coherent control of the intense laser process.
- SEP spectroscopy of SiH2 radical.
- Rotational effect of ICT reaction of Cyanophenyldisilane.
- Time-dependent density functional calculations of the electronic excitation spectra of free-base and zinc bacteriochlorin dimers.
- Theoretical Ultraviolet Photoemission Spectra of Organic Compounds by DFT Calculations.
- High-resolution spectroscopy of benzene, S11B2u.LAR.S01A1g transition measured by molecular beam.
- Development of a far-field super-resolution microscopy using a two-color dip spectroscopy. (III). Theoretical investigation of optical properties.
- High resolution laser spectroscopy of NaLi in the UV region.
- Bending polyad dynamics of vibrationally highly excited acetylene.
- Zeeman quantum beat of acetylene in the A1Au 3v3'+v4'/v6' vibrational states.
- Near-Infrared Diode Laser Spectroscopy of FeC Excited States in the 0.8.MU.m Region.
- High-resolution electronic spectra of molecules embedded in superfluid helium droplets.
- The study on the vibrational excited state in the d3A2 state of the deuterated triplet acetylene.
- Doppler-free high resolution laser spectroscopy of K2 molecule in UV region.
- SVL fluorescence spectra of metal containing compounds.
- The reactivity of haloaldehydes and haloesters toward OH radical: an ab initio study.
- The observation of interference effect between two dissociation channels in the photodissociation of IBr.
- Conservation of spin-orbit state of excited Ar* produced by collisional radiative recombination of Ar+.
- Ion-Molecule Reactions of Hydrocarbon Ions with Monosubstituted Benzenes Carrying a Nitrogen Atom.
- Photodissociation of simple molecules adsorbed on crystalline and amorphous ice films.
- Theoretical study of CN radical reactions with methyacetylene or allene.
- New Soft X-ray Molecular Spectroscopy at the UVSOR facility. (2). Spin-orbit Interaction in S 2p excitation of sulfur-containg molecules.
- The second generation system for the coincident electron-energy-loss spectroscopy for investigating the dynamics of doubly excited molecules.
- Real-time dynamics of CS2 in intense nanosecond laser fields: Alignment and structural deformation.
- Detection of the photofragment orbital orientation by slice imaging and analysis of the interference between dissociation channels.
- Potential Energy Surfaces and Spectroscopic Constants of an Interstellar Molecule MgNC and MgCN.
- Theoretical Study on the Mills-Nixon effects and Aromaticity.
- Analytical gradients for SAC/SAC-CI method in non-canonical MO formulation.
- Theoretical study of photochromism of polydiacetylene.
- Several finite-system density-matrix renormalization group algorithms for solving eigenvalue problems of many fermion systems and their convergences to the optimum soulutions.
- Electronic states of Ti(1-x)MxO2 (M=Co,Ni,Fe,) cluster model using ab initio MO calculations.
- Structural analysis of (AXA')+ion in gas phase by ab initio MO calculations.
- Ab Initio MO study of the interaction between 15 group elements and a Si=Si double bond.
- Theoretical study of the excited states of the F2 molecule.
- Dipole moments of 2.SIGMA. and 2.PI. states of CN radical at different internuclear distances via Fock space multi-reference coupled cluster linear response approach.
- Theoretical study of benzonitrile clusters in the gas phase and their adsorption onto a Au(111) surface.
- A Theoretical Study of Pt(II), Mo(0), and Zr(II) silanone complexes. I.
- Theoretical Study on Photochromic Diarylethene.
- Theoretical Study on the Photoabsorption and Photodissociation in the Herzberg band of O2.
- Theoretical study on dissociative recombination of H3+.
- Laser control of the quantum states in a dissipative environment.
- Hierarchical Regularity in Protein Folding Dynamics.
- A theoretical study of alkene epoxidation by cytochrome P450; Participation of hydroperoxoiron complex as an active species.
- Analysis of a model double proton transfer reaction by using quantum dynamics.
- Developement of a grid point method for two-electron dynamics and its application to molecular systems.
- Theoretical Study for the Insertion Mechanisms of Acetylene into Si-Si Bonds.
- Time-dependent variational principle with inequality constraints.
- A Theoretical Study of reaction between Zr(II)-ethylene complex and hydrosilane-Proposal of New Transition State.
- Reaction Path Hamiltionian Model in solution and its application to SN2 reaction.
- Conical intersections involved in photoisomerization and photophysics of normal alkyl radicals.
- Theoretical study of the hydrido migration to CO2 and CS2 of the (.ETA.5-C5H4(CH2)3NH3+)MH(H2PCH2PH2) (M=Fe,Ru and Os) complexes promoted by the protonated amine arm.
- Potential hypersurfaces for atomic clusters using interpolation.
- Theoretical Study on Rearrangement Reaction of Phenyl- and Diphenyl-methylene-Cyclopropane: Which is faster, C- or H-Migration?
- A Theoretical Study on the Dynamics of SN2 Reaction of OH- with CH3Cl.
- The study of higher excited state of CaNC.
- Third-order no-pair AIMP for lanthanide and actinide.
- Theoretical study on exciton migration dynamics of dendritic molecular aggregates involving the effects of exciton-phonon coupling.
- Four-component relativistic calculations on the complex between trivalent An/Ln ions and water/ammonia molecules.
- Quantum-phase dynamics of a molecular system interacting with a two-mode squeezed field.
- Third-order polarizability of a dendrimerically coupled oscillator system.
- Improvement, Parallelization and Performance Evaluation of Routines for Electron Repulsion Integrals in Fragment Molecular Orbital Method Program ABINIT-MP.
- Theoretical calculation of second hyperpolarizability of carbon tetrachloride.
- Molecular Ornstein-Zernike approach to the solvent effects on solute electronic structure in solution.
- Density Functional calculations on the hyperfine coupling constants of small .PI. radicals using BOP and POP exchange-correlation functionals.
- Theoretical study on structure-NLO-correlation of the organic ion pair.
- Synthesize new donor of TTF derivative and its radical crystal.
- Spin transitions in bis(maleonitriledithiolato)nickelate complexes.
- Construction of ferrimagnetic spin systems based on ground-state singlet biradicals.
- The fine structure parameters of high spin bis(nitrenes) and their molecular structures.
- The hydrogen-bonded structure and magnetic properties of organic radicals carrying pyridone moieties.
- Preparation and Magnetic Properties of Styrylpyrylium and Styrylammonium Salts.
- Crystal Structure and Magnetic Properties of Benzo(bisdithiazolyl) Radical Cation Salts.
- Para/diamagnetic transition in potassium chloranil. The effects of solvation and impurity.
- Zero-Field .MU.SR study of the single moleucle magnet: [Mn12O12(O2CC6H5)16(H2O)4] 2C6H5CO2H.
- Synthesis of novel single-molecule magnets based on Mn12 cluster.
- Electronic and Molecular Structures of Extremely .PI.-Delocalized Skell's High-Spin Polycarbenes based on Dianthrylcarbene.
- Magnetic properties of bis(nitronyl nitroxide) radical.
- The synthesis and magnetic property of Trinitronylnitroxide compounds for Organic Ferrimagnetic Materials.
- Crystal Structures of Halogen Substituted Benzimidazole Nitronyl Nirtoxide Derivatives and Their Ferromagnetic Spin Alignment.
- Synthesis and Magnetic Property of Stable Nitroxide Radicals Bearing Oxazine Heterocycles.
- Study of magnetic interaction between nitroxides through para-phenylenediamine unit.
- Physical nature and electric conductivity for charge-transfer complex of 1,6-diaminopyrene as electron donor.
- Structure and Electrical Properties of Layered Tin-Iodide Perovskite Compounds with various Organic Ammonium Cations.
- Resonant quantum spin tunnelling in polyanionic high-spin C60 fullerenes.
- Amorphous Molecular Materials: Charge Transport in the Molecular Glasses of Tris(oligoarylenyl)amines.
- Low temperature Raman Spectra of Energetic Materials.
- Theoretical analysis of 13C NMR and Raman spectra in Methane Hydrate.
- Vibronic interactions and electron-phonon coupling in negatively charged anthracene and phenanthrene.
- Structural optimization method and lattice vibrational analysis for periodic system by ab initio MO method.
- Molecular Hyperpolarizabilities .BETA.zzz and .BETA.zxx of .PI.-extended tetra-substituted isomers: Simplified Sum-Over States Calculations, Missing-Orbital Analysis and Homologous Di-substitution Analysis.
- Orientation and Energy Transfer of Poly(dimethylsilane)/poly(di-n-hexylsilane) composite thin film.
- Stratified synthesis of the electronic states of polymers. Application to the relationship between polymer structures and Anderson localization.
- Interaction with Rage Gas Occluded in C60 Lattice.
- Charge Transfer Complex of Bi(anthracene-9,10-dimethylene).
- Three-dimensional mesoscopic structures of supramolecular J aggregates of dyes at a solid/liquid interface.
- Effects of solvent, temperature and potential on the structures of the self-assembled monolayers of alkanethiol on a Au(111) surface.
- Preparation of Disubstituted Porphyrin LB Films and Their Spectroscopic Properties.
- Atom-resolved images of surface oxygen atoms on CeO2(111) and migration of the surface oxygen atoms observed by Noncontact AFM and STM.
- Magnetism of Ce@C82 correlated with molecular rotation.
- Shear induced structures and rheology in liquid crystalline nematic and smectic A phases.
- The theoretical study on dielectric constants of polymer.
- Theoretical Study on the Electronic Structure of Pd Monolayer on Au Electrode.
- Photoinduced electron transfer of aromatic carboxylic acids-quinone systems coadsorbed on metal thin films.
- Theoretical study on the dissociation process of O2 on an Ag surface with the linear scaling method.
- Analysis of electroless deposition reactions by ab initio molecular orbital study.
- Ultrafast Carrier Dynamics at Metal. Semiconductor junction Studied by Femtosecond Visible-Pump IR-Probe Technique.
- The study of photon-stimulated ion desorption of self-assembled monolayers induced by site-specific core excitation.
- Theoretical study on the growth of thin film at Aluminum(111) surface.
- In-situ structural analysis of organic extrathin films by scanning tunneling microscopy and electron spectroscopies.
- Electron and Vibrational Spectroscopies of Extrathin Alkadiyne Films Prepared by Vapor-deposition onto a Au(111) Surface.
- Orientation of surface molecules reflected in a Penning ionization electron spectrum. Analysis based on local electron density oozing from the outermost surface.
- Attempt to Construct Extrathin Network and Mosaic Structures Using Molecular Recognition on Solid Surfaces. (1). Characterization by Electron Spectroscopies.
- Design of a flat field spectrometer for soft x-ray emission spectroscopy.
- Soft X-ray spectroscopic studies on surface adsorbates.
- Time-resolved photoemission microspectroscopy based on fs-VUV laser radiation.
- Femtosecond transient absorption spectroscopy on the electron injection process from ruthenium phenanthroline complex to semiconductor nano-particle film.
- The Construction and Application of Subpicosecond Time-resolved Near-infarred Spectrometer.
- Observation of coherent nuclear motions in solution-phase chemical reactions by extremely-fast two-color absorption spectroscopy.
- Magnetic field effects on the hydrogen abstraction reaction of triplet benzophenone as studied by a picosecond laser flash photolysis technique.
- Photochemistry of .ALPHA.-naphthil-triethylamine complex.
- Ultrafast molecular dynamics measurement in water/AOT/heptane reverse micelle by using ultrafast transient lens method.
- Study for the inclusion effects into cyclodextrins on photoisomerization by Ultrafast Transient Lens measurement.
- UV-Multiphoton Dissociation Processes of Benzoyl Cyanide.
- Degenerate four-wave mixing spectra of phenoxymethyl and phenoxy radicals.
- Temperature Dependence of Ultrafast Photoinduced Bond Cleavage Reaction of Spironaphtooxazine in Crystalline Phase.
- Proton dissociation dynamics of excited 1-naphthalenethiol in aqueous solution.
- Study on the photoexcitation dynamics of charge transfer complexes in supercritical fluids by the transient grating method of nearly counter-propagating pump excitations.
- Photochromic reaction in bis(2-thienyl)ethene in the isolated state and in solution.
- Tunable picosecond laser system with high power middle-infrared geneation for two-color spectroscopy of UV and IR.
- Electronic spectra of hydrogen bonded clusters in fluoropyridine derivatives.
- Scattering of Visible and Near Infrared Light by Disordered Liquid Crystals.
- Photoelectron spectra analysis of the oxygen molecule.
- Attoseconds wave-packet engineering. Model calculation of the molecular wave-packet encoding.
- LIF spectra of FeF radical.
- LIF spectra of jet-cooled trifluoromethylphenols.
- Internal rotational motion of chloromethyl group on benzyl chloride molecule.
- Optical-optical double resonance spectroscopy of I2 through the parity mixed valence states.
- Near-Infrared Diode Laser Spectroscopy of FeN in the 1.3.MU.m Region.
- VUV and UV fluorescence of Cl2 and development of a Cl2 analyzer.
- Theoritical study of creating Cl-ion from Ar+HCl* and ArHCl.
- Collision-Energy-Resolved Penning Ionization Electron Spectroscopy of Difluorobenzenes: Anisotropic Interactions of Difluorobenzenes with He*(23S) and Reactivity of Molecular Orbitals.
- Collision Energy Resolved Penning Ionization Electron Spectra of Acetonitrile synthesized by classical trajectory calculations.
- Molecular Orbital Study of Reaction between H2S and C2 Forming Interstellar Molecules.
- New crossed-beam apparatus for studying reaction dynamics of transition metal atoms.
- Classical trajectory calculations of Penning ionization cross sections of linear molecules: Optimization of a ab initio model potential.
- Ionic states of transition metal complexes and anisotropic interaction with an excited helium atom observed by two-dimensional Penning ionization electron spectroscopy.
- Two-dimensional Penning ionization spectroscopy of biphenyl: Difference from the case of benzene in interaction with He*.
- Collision-energy-resolved Penning Ionization Electron Spectroscopy of Cyclohexanes.
- The application for Time-resolved FT-IR using of infrared short-pulse light produced by laser plasma.
- Energy Partitioning in Dissociation of Cl-(H2O)n by Surface Impact.
- Cluster Formation from Liquid Beam Surface Following IR Laser Irradiation.
- Deposition of size-selected clusters and STM observation: Production of intense size-selected cluster-ions.
- Deposition of Size-selected Clusters and STM Observation: Development of Cluster Deposition Apparatus and STM Observation.
- Size-Specific Reactions of Copper Cluster Ions.
- Cavity ring-down spectroscopy implemented with a mid-infrared cw laser.
- Electronic structures of vanadium carbide cluster anios.
- Dehydrogenation Reaction from a Dihydrogen Bonded Complex.
- Studies of reaction dynamics and formation of doubly-charged Mg2+(NH3)n cluster.
- Stability of the products in intracluster oligomerization of alkali metal-acrylonitrile clusters. Observation of metastable- and photodissociation processes of size-selected photoions.
- Photodissociation spectroscopy of Mg+(CH3CN)n cluster ions.
- The Cluster Size Dependence of H/D Exchange Rate Constant in Protonated Water Clusters H+(H2O)n (n=2-9).
- Theoretical studies for the hydrogen elimination reaction of the hydrated group 2 metal clusters.
- Observation of the formation process of metal-silicon clusters. (2).
- The selectivity of the HBrN2O(1:1) cluster in isomerization.
- Solvent clustering effects on the generation and reaction of a carbocation in supercritical CF3H.
- soft-landing of multiple decker sandwich clusters. Dependence of deposition energy and buffer effect of argon thin layers.
- Photodissociation of NO dimer with Time-resolved photoelectron imaging.
- Analysis of the infrared spectra of p-type-doped poly(p-phenylene).
- Calculations of vibrational spectra of polyene anions: models of negative solitions and negative polarons.
- Temperature and pressure effects of the Raman spectrum of 1,3,5-trifluorobenzene crystal.
- Temperature- and pressure- induced phase transition of bromanil crystal.
- Density Functional Vibrational Analysis of Retinal.
- Optimal fitting parameters for analysis of spectra of diatomic molecules.
- Vibration-Rotational Spectra and Determination of Molecular Constans of KH.
- Infrared diode laser spectroscopy of (N2O)2 and N2O-CO2: Frequency shifts of the N2O2 .NU.3 vibration upon complex formation.
- High-resolution rotation-vibration spectrum of the .NU.17 band of butatriene: Simultaneous analyses of the dynamically linked three vibrational levels.
- Conformational analysis of 1-phenylethanol by the combined use of matrix isolation infrared spectroscopy and density functional theory.
- Infrared spectral change of a zinc salt of ethylene-methacrylic acid ionomer on water absorption process.
- Development of a new infrared pump-infrared probe time resolved spectrometer.
- The Study on Solvated Structures by Infrared Electroabsorption Spectroscopy: p-Nitroaniline in Acetonitrile/CCl4 Mixed Solvents.
- Time- and Space-resolved Raman spectroscopy of Living Yeast: Molecular-level Pursuit of the Cell Cycle.
- Observation of overtone and combination modes of molecular vibration studied by broadband multiplex higher-order CARS spectroscopy.
- Construction of a Picosecond Time-Resolved Raman Spectrometer with Near-Infrared Raman Excitation.
- Molecular orientations in Langmuir-Blodgett films of palmitoyl-L-ornitine and palmitoyl-L-lysine: Examination by SFG spectroscopy. (2).
- Application of Femtosecond Upconversion Technique in Temporal Fluorescence Rejection in Raman Spectroscopy.
- Strong Raman activities of low frequency vibrational modes in substituted benzenes: conformation specific .SIGMA.-.PI. interactons.
- Excited-state molecular vibrations of polycyclic aromatic hydrocarbons: a force field model using bond-bond polarizabilities.
- Dispersion curves of honeycomb ribbon type polycyclic aromatic hydrocarbons: Correlations with the parity of acene-like chains and the phase differenece of adjacent rings.
- Spectroscopic and X-ray crystallographic study on iron pentacyanonitrosylferrate crystal at high pressure using a diamond anvil cell.
- Study on the degradation mechanism of the organic light-emitting diodes fabricated with Alq3 and TPD.
- Infrared reflection absorption spectroscopic study on surface geometry of aromatic carboxylic acids adsorbed on metal thin films.
- Study on the Changes in the Intermolecular Interactions of a Rod-Coil Liquid Crystalline Oligomer Using Infrared Spectroscopy.
- VCD Spectra of Optically Active Aminoalcohol Molecules and their Structures in Solution.
- Two-dimensional Fourier transform infrared spectroscopy study of thermal denatured dynamics of Ovalbumin in aqueous solutions.
- Photoisomerization mechanism of 2-chlorobenzaldehyde in a low-temperature argon matrix.
- Keto-enol tautomerization of acetylacetone in low-temperature argon matrices.
- Photoreaction studies of tetracyanopyrazine by an argon matrix isolation technique.
- Difference of short-range inhomogeneity between symmetric deforming and symmetric stretching modes in supercritical CHF3.
- Raman spectroscopy of hydrogen molecule in supercritical water.
- Parallelization of MCQDPT2 routine in GAMESS with Distributed data interface.
- Quantum optimal control of NaI photodissociation.
- Theoretical designing of laser field for population dynamics control.
- Quantum control of isomerization of difluorobenzo[c]phenantrene by clasisical, local control theory.
- Calculation of strong laser-filed dynamics by time-dependent density functional theory.
- Spherical Charge Analysis Applied to SN2 Reactions.
- The analyses of the TICT state formation of DMABN by RISM-SCF method.
- Statistical kinetic theory of reaction for isomerization based upon semi-Markov model.
- Implementation of FMF Techniques for Improved Transition State Searches on Molecular Orbital Potential Energy Surfaces.
- Study on the substitution effects for the Diels-Alder reaction mechanisms.
- The Theoretical Study of Solvent-Nitriles Exchange Reactions on the Trivalent Cations of the First Transition Series.
- Theoretical study of the ligand exchange reactions of the first transition series ions.
- Methane-methanol conversion by FeO+: a theoretical study of spin inversion.
- Analysis of the ionic nucleation process by the ab initio MD simulation.
- A flux-flux correlation function approach to quantum rate constants.
- Ab initio and semiempirical calculations of the mechanism of one-electron reduction of dioxygen molecule in cytochrome bc1 oxidase.
- Theoretical study on molecular frame in structural isomerization of clusters.
- Potential function of H2CO at S0 and competition of molecular dissociation and isomerization.
- Quantum dynamics calculations on new ab initio potential energy surfaces for the O(1D)HCl system. I. Single surface dynamics.
- Ionization and electron capture dynamics of small-sized water clusters: A direct ab-initio trajectory study.
- Diffused direct molecular dynamics calculation of Li+ ions using the graphite cluster model.
- Internal and external heavy-atom effects on phosphorescence radiative lifetimes calculated by using mean-field spin-orbit approximation.
- Preparation for Electrode of Conducting-polymer Materials.
- Hyperfine Coupling of Cyanide Ion and Magnetic Local Structure of Cr-Mn Prussian Blue Analogue Studied by Solid State NMR.
- Magnetic Orientation of Carbon Nanotubes.
- Bromine-adsorbing Effect of Activated Carbon Fibers.
- Theoretical studies for stability of CDW/SDW states and magnetic interaction on Cu2O3, Ag2O3, Au2O3.
- Theoretical study of the magnetic interaction for copper oxide clusters.
- Theoretical studies on the magnetic interaction of the active site in oxygen transport proteins.
- Theoretical studies on all effective magnetic parameters for BETS crystals.
- Theoretical Studies of Intra- and Intermolecular Magnetic Interaction of Organic Polyradicals.
- Theoretical Studies on Contributions of SOMO-SOMO and Other Couplings to the Magnetic Interaction in Radical Clusters.
- An efficient method to calculate the spin multiplicity of low-dimensional ferromagnetic materials.
- ab-initio Molecular Orbital Calculations of Spin Densities in Some Crysdtalline Stable Organic Radical Materials.
- Theoretical Study on the Singlet-Triplet Instability in the Heteroatom .PI. Spin Hole Doped Quasi-Degenerated .PI. Conjugated Systems.
- Theoretical study on the ground stable spin arrangement on the quasi-degenerated hetero .PI. conjugated systems.
- Proton-Transfer Behavior in the Hydrogen-Bonding Molecular Complexes of N-Salicylideneanilines.
- An aproach to the crystal engineering based on the hydrogen-bonding with Mellitic acid.
- Theoretical study on hydrogen-bonded dielectric materials using dynamic extended molecular orbital method.
- Heat Capacity and Glass Transition of Intermolecular Complex Containing trans-Stilbene: STB-(TCNB)2.
- Conductivities and reduction processes of cytochromes.
- Crystal structure and property of a polycyano-polycadmate host clathrate including a charge-transfer complex of methylviologen dication and mesitylene as a guest.
- Crystallization of Amorphous Chlorobenzene under the Effect of Dopant.
- Amorphous Molecular Materials: Creation of a Novel Class of Amorphous Molecular Materials Containing a Phthalocyanine Moiety and Their Properties.
- Amorphous Molecular Materials: Synthesis and Photochromic Properties of Photochromic Amorphous Molecular Materials Based on Dithienylethene.
- Possibility for structural control of evaporated thin films of an amphoteric and polar molecule having both donor and acceptor segments.
- Structures and Dynamics of Organic Molecules Intercalated into Tetrasilicicfluormica and Octosilicate.
- Effects of o-methyl group(s) on the proton dissociation reaction of aniline derivatives in the excited state.
- Feedback Controlled Pulse Shaping System. (2).
- Dissociative ionization of small molecules studied by ion imaging spectroscopy.
- Reaction Rate Constants of Strained Molecules: Hot Molecule Reaction of Cyclophane Derivatives.
- Theoretical study on the excited-state dynamics of dibenzocycloheptenes.
- Theoretical study on the excited-state dynamics of psoralens.
- Time-resolved spectroscopy of excited-state intramolecular proton-transfer in the derivatives of 3-hydroxyflavone.
- Ultrafast dynamics of photogenerated carriers in a photocatalyst, K4Nb6O17, by means of Femtosecond transient absorption measureemnts. (III): effects of intercalation of Ru(bpy)32+.
- Fluorescence-detected interferometry by phase-locked pulses. (II).
- Fluorescence-detected interferometry of molecular wave packet created by a phase-locked pair of femto second laser pulses.
- Vibrational Relaxation of Perylene and Perylene Derivative in Solution.
- Molecular structure effect on excitation relaxation dynamics of carotenoids.
- Multiple fluorescence emission and its excitation relaxation dynamics in fluorene-linked polyacetylene.
- Effects of an external electric field on the photo-induced electron transfer of methylene-linked compounds doped in a PMMA polymer film.
- Electric field and magnetic field effects on excitation dynamics of donor-acceptor systems.
- Effects of external electric field on the photo-induced electron transfer of mixtured of pyrene(PY) and N-methylphthalimide(NMPI) in a PMMA polymer film.
- External electric field effects on the absorption and the emission spectra of 4-dimethylaminobenzonitrile doped in a PMMA polymer film.
- Electric field effects on photoinduced electron transfer in Porphyrin-Fullerene Dyads.
- Absolute photo absorption cross section measurement of the B (10,0) band of NO by vacuum ultraviolet Fourier transform spectroscopy.
- Conformational Isomers and Photochromism of 1,2-bis(3-methyl-2-thienyl)perfluorecyclopentene.
- Development of new TOF analyzer combined newly designed snout-shape electrode with a potential switch and quantitative analysis of chlorobenzene.
- Study of gerade Rydberg states of acetylene by dispersed fluorescence spectroscopy.
- Doppler-free high resolution UV laser polarization spectroscopy of naphthalene.
- 3-Methoxybenzyl radical studied by supersonic jet spectroscopy.
- High-resolution Fourier transform emission spectroscopy of the B2.SIGMA.+-X2.SIGMA.+ (1,0) and (0,1) band of the PN+ ion.
- Characteristics of fluorescence and phosphorescence of nitrobenzoanthrones.
- Characteristics of fluorescence and phosphorescence of naphthanthrone.
- Excited-state proton transfer and photochromism of N-salicylideneaniline in a free jet.
- Amplified spontaneous emission process and gain-SEP spectroscopy in Schuster band of ND3.
- Laser induced amplified spontaneous emission spectroscopy of the 4d.DELTA.N2.DELTA.(v=0)-B'2.DELTA.(v=7) mixed states in NO.
- TICT fluorescence spectra of p-cyanophenylpyrrol and N,N-dimethylaminobenzonitril in rigid matrices.
- Electric field modulation fluorescence and absoption spectroscopy of organic materials EL devices for Alq3 and the others.
- The analysis of the electronic spectra of jet-cooled biphenylene.
- The analysis of the torsional motion of 2-phenylazulene in the first excited singlet state (S1).
- Decomposition Reaction of Energetic Material NTO by Using Shock Tube.
- Reactivity of the spin-orbit states of Cl atom, Cl(2P3/2) and Cl(2P1/2).
- Specific Stereoselectivity of CH3X+Ar* Penning Ionization Reaction.
- Photodissociation of O2 and ozone formation in supricritical CO2.
- The substitute effect of precursors and the reaction control for parasitic reactions in III-V nitride semiconductor crystal growth.
- Dynamics of molecular structural change in intense laser fields by a pulsed electron diffraction method.
- The Study of Photon Stimulated Ion Desorption of Condenced methylisobutylate(MIB) and dimethylcarbonate(DMC) Molecules Following Core Excitation.
- Detection of neutral species desorbed by core-excitation utilizing combination of SR and laser.
- Fast charge-separation process of thin crystals of oxotitanium(IV) phthalocyanine.
- Coexistence effect of a nanosecond Nd:YAG laser field to the multiphoton ionization of N2 and O2 molecules by intense femtosecond laser pulses.
- Structural changes and foaming of Polycaprolactone in supercritical carbon dioxide.
- Vibrational spectroscopy of aromatic-water cluster anions.
- IR spectroscopy of .PI.-hydrogen-bonded phenol cluster cations.
- Study on the tautomerization reaction in jet cooled salicylic acid by Infrared spectroscopy.
- Investigation on the structures of benzonitrile-benzene clusters by stimulated Raman-UV double resonance spectroscopy.
- Laser Vaporization Process of Graphite under Ne, Kr Atmosphere.
- Chemical Reaction of Silicon Cluster and Involved Dissociation.
- Photodissociation spectroscopy of benzene-toluene mixed trimer ions.
- Hydrogen-bonding interactions and geometrical structures of hydrated aniline cations.
- Structure of hydrogen-bonds in 4-azabenzimidazole-Mn(M=H2O,CH3OH) clusters studied by fluorescence and infrared spectroscopy.
- Intermolecular interaction and geometry of p-aminophenol-N2, CO complexes. Where is the solvation site, substituent or aromatic ring?
- Electronic and Vibrational spectra of the p-aminophenol-M(M=H2O,MeOH) complexes.
- The electronic spectra of jet-cooled 9-hydroxyphenalenone-CO2, H2O clusters. The effects of the intermolecular interactions on the proton tunneling.
- Electronic structures of ferrocene oligomers.
- Photoelectron spectroscopy of hydrated aluminum-anion clusters.
- Theoretical Study of Stable Structure of Tetranuclear Ruthenium Cluster Complex.
- Spectroscopic study of a mixed cluster of 1-naphthol dimer and polar molecules. Promotion of dimer formation supported by polar molecules.
- Study for Electronic structure of metallofullerenes by XANES.
- Observation of the Photoionization efficiency curves for organometallic clusters and its electronic and vibration states.
- Anion photoelectron spectroscopy of small bimetallic clusters. Correlation between chemisorption rates and electronic structures.
- Ab initio molecular dynamics study on solvation of Na atom.
- Molecular Orbital Study of Hydrated Clusters of Potassium Hydroxide.
- Investigation of structure of fullerene cluster by differential mobility analyzer.
- Development of mass spectrometry for metal nanoclusters dispersed in liquid phase.
- Preparation of metal nanoclusters protected by molecular capsules.
- Vectorization of direct Fock matrix construction.
- The analysis of proton transfer calculated by ab initio NO+MO method.
- The wavefunctions by the complex coordinate method and their optimization.
- Valence and Correlating Basis Set for the Second Transition-Metal Atoms Y-Cd.
- Contracted Polarization Functions for the Atoms Ca, Ga-Kr, Sr, and In-Xe.
- The electronic structure of CoN.
- Quantum Effect of Transfering Proton Glycine in Aqueous Solution.
- Computational procedure of molecular crystal structures using Fragment MO method. II.
- Theoretical study of redox reaction mechanism of rubredoxin containing Iron-Sulfur core.
- Toward protein structure prediction. Generalization of Replica Exchange Method.
- Ab initio MO Studies of Interaction Mechanism of Protein Kinase C with Cell Membranes. II.
- Nertral and zwitterionic forms of arginine in the gas phase.
- Relativistic multi-reference SDCI calculation using reduced frozen-core approximation for linear molecules.
- Non-Born-Oppenheimer density functional theory by the Green function techniques.
- Theoretical Study for the interaction between the Silicon(111) surface and the group 13 metal atoms.
- Full three dimensional wavepacket dynamics calculation of OCS molecule.
- First derivatives of two electron integrals over contracted Cartesian Gaussians using general recurrence formula for molecular integrals.
- Direct determination of second-order reduced density matrices: variational calculation of density matrices. III.
- Ab initio theoretical study on a series of eight .PI.-electron seven-, eight-, and nine-membered ring systems.
- A density-functional study of van der Waals interactions.
- Study on the visualization systems for molecular information.
- A CASSCF Program Based on a Parallel Integral Driven Algorithm.
- Development of Accurate Gaussian Basis Sets with Finite-Nucleus Model.
- Local Treatment of a Metal Surface by the Correspondence Orbital Transformation. (II).
- Electronic state calculation of the hydrogen atom in inhomogeneous external field by the finite element method.
- An electronic wave function multiplied by an electron-correlation factor.
- Theoretical Auger Electron Spectra of Polymers by DFT Calculations.
- Distributed parallel processing of density functional method program ProteinDF by using the object orientation technology and execution efficiency.
- Theoretical research of the phosphorescence characteristic for Barium p-metoxybenzylmalonate.
- Path Integral Monte Carlo method for bosonic many body systems.
- Theoretical study on the Raman active modes of polycyclic aromatic hydrocarbons.
- The phonon of crystalin chalcogenide compounds.
- Path integral centroid molecular dynamics study of the phonon dispersion relation of solid para-hydrogen.
- Theoretical study on the ionization of O3 and SO2 with analysis of vibrational structure of the photoelectron spectra.
- DFT study on van der Waals interaction between rare-gas atoms.
- Consideration for the reference function in CI calculation.
- A theoretical analysis of Feynman path centroid variables for identical particles.
- Relativistic effects on magnetic circular dichroism with the finite perturbation formulation.
- The Quasi-Diabatic Crystal Orbital Method in the Presence of an External Electric Field.
- Theoretical studies for the instability of chemical bonds and the hybrid parameter in hybrid density functional theory method.
- A study on the solvent effects of the supercritical water on the SN2 reaction by a QM/MM molecular dynamics simulation.
- A computational chemical study of solvent effects of chemical reaction in supercritical liquid.
- Time-Resolved EPR Study on the Hydrogen Abstraction Reaction in Supercritical Carbon Dioxide.
- Theoretical study of noncatalytic pinacol rearrangement mechanisms in supercritical water.
- Volume behavior of water-benzene mixtures in the vicinity of the critical region.
- Specific phase separation of aqueous solutions of hydrophobic metal complexes and the solution structures.
- Development of an apparatus for mixing gases and measurements of the critical properties.
- Ion association in aqueous NiBr2 solution at high temperature and supercritical conditions.
- Counter Map of correlation time for the density fluctuation of CHF3 near the critical point.
- Structure of an ionic liquid studied by X-ray scattering method.
- Photophysics and photochemistry in ionic liquids: Intramolecular charge transfer reaction of dimethylaminobenzonitrile.
- Temperature dependence of alcohols C-H bonding for aqueous binary mixtures with alcohol.
- Structure of liquid silicon tetrachloride and liquid germanium tetracholoride as investigated by X-ray diffraction.
- ESR Study of Intramolecular Electron Transfer Rates of a Symmetrical Bicylic Diketone Radical Anion.
- Vibrational photon echo experiments with intense 55 fs infrared short pulses.
- Isotope dilution effects on the OH and OD ribrational spectra in alcohols.
- Microscopic Investigation of the Novel Self-Reproduction of Giant Vesicles.
- Vesicle formation simulation by dissipative particle dynamics method.
- Effects of Hydrophobic and Hydrophilic Moieties on the Molecular Organization of H2O.
- A theory for the shear viscosity of molecular liquids.
- Liquid dynamics of acetonitrile studied by using molecular dynamics simulation.
- Density integral equations for quantum fluids based on path integral method.
| Copyright (c) 2006-2007 Japan Science and Technology Agency. All Rights Reserved. | |
