화학공학소재연구정보센터
검색결과 : 77건
No. Article
51 Interpolated variational transition-state theory by mapping
Corchado JC, Coitino EL, Chuang YY, Fast PL, Truhlar DG
Journal of Physical Chemistry A, 102(14), 2424, 1998
52 Kinematic mass model of activated bimolecular reactions : Reactions of vibrationally excited reactants
Perdih M, Smith IWM, Miklavc A
Journal of Physical Chemistry A, 102(22), 3907, 1998
53 Direct dynamics calculations of deuterium and carbon-13 kinetic isotope effects for the reaction Cl+CH4
Roberto-Neto O, Coitino EL, Truhlar DG
Journal of Physical Chemistry A, 102(24), 4568, 1998
54 Dual-level direct dynamics calculations of the reaction rates for a Jahn-Teller reaction : Hydrogen abstraction from CH4 or CD4 by O(P-3)
Corchado JC, Espinosa-Garcia J, Roberto-Neto O, Chuang YY, Truhlar DG
Journal of Physical Chemistry A, 102(25), 4899, 1998
55 Self-consistent reaction field calculations of nonequilibrium solvent effects on proton transfer processes through low-barrier hydrogen bonds
Ruiz-Lopez MF, Oliva A, Tunon I, Bertran J
Journal of Physical Chemistry A, 102(52), 10728, 1998
56 Selective oxidation of methanol by extra oxygen species on one-dimensional Mo rows of a Mo(112)-(1x2)-O surface
Fukui K, Motoda K, Iwasawa Y
Journal of Physical Chemistry B, 102(44), 8825, 1998
57 The Topology of Multidimensional Potential-Energy Surfaces - Theory and Application to Peptide Structure and Kinetics
Becker OM, Karplus M
Journal of Chemical Physics, 106(4), 1495, 1997
58 Electrostriction Effects on Electron-Transfer Reactions in Solution .1. Adiabatic Regime
Jeon J, Kim HJ
Journal of Chemical Physics, 106(14), 5979, 1997
59 Finding Transition-States Using Contangency Curves
Ulitsky A, Shalloway D
Journal of Chemical Physics, 106(24), 10099, 1997
60 Unified Reaction Valley Approach Mechanism of the Reaction Ch3+h-2-)Ch4+h
Konkoli Z, Kraka E, Cremer D
Journal of Physical Chemistry A, 101(9), 1742, 1997