Gas-Phase Kinetics Study of Reaction of OH Radical with CH3NHNH2 by Second-Order Multireference Perturbation Theory

2012 ◽  
Vol 116 (21) ◽  
pp. 5045-5056 ◽  
Author(s):  
Hongyan Sun ◽  
Peng Zhang ◽  
Chung K. Law
Keyword(s):  
Perturbation Theory ◽  
Gas Phase ◽  
Second Order ◽  
Oh Radical ◽  
Kinetics Study ◽  
Multireference Perturbation Theory ◽  
Gas Phase Kinetics

Analytical energy gradients for second-order multireference perturbation theory using density fitting

2013 ◽  
Vol 138 (10) ◽  
pp. 104104 ◽  
Author(s):  
Werner Győrffy ◽  
Toru Shiozaki ◽  
Gerald Knizia ◽  
Hans-Joachim Werner
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Multireference Perturbation Theory ◽  
Density Fitting

Application of a “charge-averaged” second order multireference perturbation theory strategy to the study of a model Mixed-Valence compound

2009 ◽  
Vol 896 (1-3) ◽  
pp. 12-17 ◽  
Author(s):  
Mariachiara Pastore ◽  
Wissam Helal ◽  
Celestino Angeli ◽  
Stefano Evangelisti ◽  
Thierry Leininger ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
Mixed Valence ◽  
Second Order ◽  
Multireference Perturbation Theory ◽  
Mixed Valence Compound ◽  
A Charge

Mechanistic and kinetics study of the gas phase reactions of methyltrifluoroacetate with OH radical and Cl atom

2013 ◽  
Vol 111 (7) ◽  
pp. 860-867 ◽  
Author(s):  
Arup Kumar Chakrabartty ◽  
Bhupesh Kumar Mishra ◽  
Debajyoti Bhattacharjee ◽  
Ramesh Chandra Deka
Keyword(s):  
Gas Phase ◽  
Oh Radical ◽  
Kinetics Study ◽  
Gas Phase Reactions ◽  
Cl Atom
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