Hydrogen bond driven chemical reactions: a first principles molecular dynamics simulation of Beckmann rearrangement in supercritical water.
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Accession number;04A0241397
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| Title;Hydrogen bond driven chemical reactions: a first principles molecular dynamics simulation of Beckmann rearrangement in supercritical water. |
| Author;
BOERO M
(Univ. Tsukuba, Ibaraki, Jpn)
IKESHOJI T
(National Inst. Advanced Industrial Sci. And Technol., Ibaraki, Jpn)
TERAKURA K
(National Inst. Advanced Industrial Sci. And Technol., Ibaraki, Jpn)
LIEW C C
(National Inst. Advanced Industrial Sci. And Technol., Ibaraki, Jpn)
PARINELLO M
(Lab. Physical Chemistry-eth Zurich, Lugano, Che)
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Journal Title;Int Conf Mol Simul Comput Sci Work 2004
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Journal Code:M20040005
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ISSN:
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VOL.;NO.;PAGE.31-32(2004)
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| Figure&Table&Reference;REF.7 |
| Pub. Country;Japan |
| Language;English |
| Abstract; |
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