화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Including anharmonicity in the calculation of rate constants. 1. The HCN/HNC isomerization reaction
Isaacson AD
Journal of Physical Chemistry A, 110(2), 379, 2006
2 Anharmonic effects on the transition state theory rate constant
Isaacson AD
Journal of Chemical Physics, 117(19), 8778, 2002
3 Removing resonance effects from quantum mechanical vibrational partition functions obtained from perturbation theory
Isaacson AD
Journal of Chemical Physics, 108(24), 9978, 1998
4 Calculation of rate constants for proton transfer between tethered oxygens
Immaraporn B, Isaacson AD
Journal of Physical Chemistry A, 102(1), 181, 1998
5 Harmonic and anharmonic rate constants and transmission coefficients obtained from ab initio data
Isaacson AD
Journal of Chemical Physics, 107(10), 3832, 1997
6 General-Method for Removing Resonance Singularities in Quantum-Mechanical Perturbation-Theory
Kuhler KM, Truhlar DG, Isaacson AD
Journal of Chemical Physics, 104(12), 4664, 1996
7 Use of 2nd-Order Perturbation-Theory for the Vibrational-Energy Levels and Partition-Functions at a Saddle-Point
Isaacson AD, Hung SC
Journal of Chemical Physics, 101(5), 3928, 1994