Influence of collision energy on the dynamics of the reaction H (2S) + NH (X3Σ−) → N (4S) + H2 (X1Σ g + ) by the state-to-state quantum mechanical study

Energy-dependent stereodynamics for the H(2S)+NH(X3)→H2(X1Σg+)+N(4S) reaction on the improved ZH potential energy surface

(2013) Cui-Xia Yao et al.   CANADIAN JOURNAL OF CHEMISTRY

Disagreement between theory and experiment grows with increasing rotational excitation of HD(v′, j′) product for the H + D2 reaction

(2013) Justin Jankunas et al.   JOURNAL OF CHEMICAL PHYSICS

Adiabatic/Nonadiabatic State-to-State Reactive Scattering Dynamics Implemented on Graphics Processing Units

(2013) Pei-Yu Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Isotope effects on the dynamics properties and reaction mechanism in the Cl(2P) + NH3 reaction: a QCT and QM study

(2013) Manuel Monge-Palacios et al.   THEORETICAL CHEMISTRY ACCOUNTS

QUASICLASSICAL TRAJECTORY STUDY OF PRODUCT POLARIZATIONS IN THE H(2S) + NH → N(4S) + H2 REACTION

(2012) LIN LI et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

A classical versus quantum mechanics study of the $$\hbox{OH}\,+\,\hbox{CO} \rightarrow\,\hbox{H}\,+\,\hbox{CO}_2$$ (J = 0) reaction

(2012) E. García et al.   THEORETICAL CHEMISTRY ACCOUNTS

New ab initio potential energy surface and quantum dynamics of the reaction H(2S) + NH(X3Σ−) → N(4S) + H2

(2011) Hong-Sheng Zhai et al.   JOURNAL OF CHEMICAL PHYSICS

Quasi-classical trajectory and quantum mechanics study of the reaction H(2S)+NH→N(4S)+H2

(2010) Boran Han et al.   CHEMICAL PHYSICS LETTERS

Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation

(2008) Ivan S. Ufimtsev et al.   Journal of Chemical Theory and Computation

General purpose molecular dynamics simulations fully implemented on graphics processing units

(2008) Joshua A. Anderson et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Effect of Coriolis coupling in chemical reaction dynamics

(2008) Tian-Shu Chu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS