Thermal rate constant calculation using flux-flux autocorrelation functions: application to Cl+H2-&gtHCl+H reaction

被引：0

|

作者：

Wang, Haobin

Thompson, Ward H.

Miller, William H.

机构：

来源：

Journal of Chemical Physics | 1997年 / 107卷 / 18期

关键词：

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

收藏

相关论文

共 50 条

[21] Quantum mechanical calculation of the rate constant for the reaction H+O2→OH+O
Viel, A
Leforestier, C
Miller, WH
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (09): : 3489 - 3497
[22] RATE CONSTANT OF GAS-PHASE REACTION H3O+ + CL- -] H2O + HCL
BURDETT, NA
HAYHURST, AN
MORLEY, C
CHEMICAL PHYSICS LETTERS, 1974, 25 (04) : 596 - 598
[23] Ab initio transition state theory calculation of the rate constant for the hydrogen abstraction reaction H2O2+H→H2+HO2
Tarchouna, Y
Bahri, M
Jaïdane, N
Ben Lakhdar, Z
Flament, JP
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (03): : 1189 - 1195
[24] `Direct' calculation of thermal rate constants for the F+H2-&gtHF+F reaction
J Phys Chem A, 47 (9372-9379):
[25] DETERMINATION OF THE RATE-CONSTANT OF REACTION OF GROUND-STATE CL AND H-ATOMS WITH H2S USING RESONANCE FLUORESCENCE IN A DISCHARGE FLOW
CLYNE, MAA
ONO, Y
CHEMICAL PHYSICS LETTERS, 1983, 94 (06) : 597 - 602
[26] Calculation of the canonical rate constant for the nonadiabatic trapping model based on unified statistical theory:: A test on the exchange reaction H2+H
Yin, SX
Wang, Y
Feng, WL
CHINESE CHEMICAL LETTERS, 1998, 9 (02) : 177 - 179
[27] Calculation of the Canonical Rate Constant for the Nonadiabatic Trapping Model Based on Unified Statistical Theory:A Test on The Exchange Reaction H2+H
Shu Xia YIN
Yan WANG and Wen Lin FENG(Chemistry Department
ChineseChemicalLetters, 1998, (02) : 177 - 179
[28] Cl+H2 reaction dynamics from quasiclassical trajectory calculation using symplectic algorithm
Shen, CS
Wu, T
Ju, GZ
Bian, WS
ACTA CHIMICA SINICA, 2001, 59 (11) : 1919 - 1924
[29] Direct calculation of thermal rate constants for the F+H2→HF+F reaction
Wang, HB
Thompson, WH
Miller, WH
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (47): : 9372 - 9379
[30] Theoretical Studies of Rate Constant and Anharmonic Effect of Cracking Reaction Steps in Reaction C2H3Cl + OH
Lei, Luo
Li, Che
Xia, Wenwen
Li, Yao
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 96 (13) : 2855 - 2867

← 1 2 3 4 5 →