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Imaging Dynamics on the F + H2O -> HF + OH Potential Energy Surfaces from Wells to Barriers

Molecular Reaction Dynamics by Theory , 重庆大学

Quasi‐classical Trajectory Study of F+H2O→HF+OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic Substitution

Molecular Reaction Dynamics by Theory , 重庆大学

Kinetic and dynamic studies of the Cl(2Pu) + H2O(X̃1A1) → HCl(X̃1Σ+) + OH(X̃2Π) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O

Molecular Reaction Dynamics by Theory , 重庆大学

Quantum Manifestation of Roaming in H + MgH → Mg + H2: The Birth of Roaming Resonances

Molecular Reaction Dynamics by Theory , 重庆大学

Mode selectivity in methane dissociative chemisorption on Ni(111)

Molecular Reaction Dynamics by Theory , 重庆大学

A new ab initio based global HOOH(13A″) potential energy surface for the O(3P) + H2O(X1A1) ↔ OH(X2Π) + OH(X2Π) reaction

Molecular Reaction Dynamics by Theory , 重庆大学

Communication: Covalent nature of X⋯H2O (X = F, Cl, and Br) interactions

Molecular Reaction Dynamics by Theory , 重庆大学

Iron cation catalyzed reduction of N2O by CO: gas-phase temperature dependent kinetics

Molecular Reaction Dynamics by Theory , 重庆大学

Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction

Molecular Reaction Dynamics by Theory , 重庆大学

Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics

Molecular Reaction Dynamics by Theory , 重庆大学

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