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Ab initio molecular dynamics study of the superacid system SbF5/HF solution Kim, Dongsup; Klein, ML, JOURNAL OF PHYSICAL CHEMISTRY B, v.104, no.43, pp.10074 - 10079, 2000-11 |
Ab initio study of BF3+(HF)1-7 clusters Kim, Dongsup; Klein, ML, CHEMICAL PHYSICS LETTERS, v.308, no.3, pp.235 - 241, 1999-01 |
Application of density functional theory based Car-Parrinello simulations to the study of catalytic processes Raugei, S; Kim, Dongsup; Klein, ML, QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, v.21, no.2, pp.149 - 165, 2002-07 |
Liquid hydrogen fluoride with an excess proton: Ab initio molecular dynamics study of a superacid Kim, Dongsup; Klein, ML, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.121, no.48, pp.11251 - 11252, 1999-12 |
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