화학공학소재연구정보센터
검색결과 : 23건
No. Article
1 A time-dependent quantum dynamical study of the C+(P-2) + H-2(D-2,HD) -> CH+(CD+) + H(D) reaction
Guo J, Zhang AJ, Zhou Y, Liu JY, Jia JF, Wu HS
Chemical Physics Letters, 689, 121, 2017
2 A transition state real wave packet approach for obtaining the cumulative reaction probability
Forsythe KM, Gray SK
Journal of Chemical Physics, 112(6), 2623, 2000
3 Accurate reaction rate calculations including internal and rotational motion: A statistical multi-configurational time-dependent Hartree approach
Matzkies F, Manthe U
Journal of Chemical Physics, 110(1), 88, 1999
4 Quantum mechanical transition state theory and tunneling corrections
Thompson WH
Journal of Chemical Physics, 110(9), 4221, 1999
5 Direct ab initio dynamics studies of the hydrogen abstraction reactions of hydrogen atom with fluoromethanes
Maity DK, Duncan WT, Truong TN
Journal of Physical Chemistry A, 103(13), 2152, 1999
6 "Direct" and "correct" calculation of canonical and microcanonical rate constants for chemical reactions
Miller WH
Journal of Physical Chemistry A, 102(5), 793, 1998
7 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
8 The Cumulative Reaction Probability for the H-2+oh Reaction
Zhang DH, Light JC
Journal of Chemical Physics, 106(2), 551, 1997
9 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
10 Semiclassical Calculation of Cumulative Reaction Probabilities
Spath BW, Miller WH
Journal of Chemical Physics, 104(1), 95, 1996