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From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O(3P)] Reactions

Molecular Reaction Dynamics by Theory , 重庆大学

Near Spectroscopically Accurate Ab Initio Potential Energy Surface for NH4+and Variational Calculations of Low-Lying Vibrational Levels

Molecular Reaction Dynamics by Theory , 重庆大学

Final state-resolved mode specificity in HX + OH → X + H2O (X = F and Cl) reactions: A quasi-classical trajectory study

Molecular Reaction Dynamics by Theory , 重庆大学

Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations

Molecular Reaction Dynamics by Theory , 重庆大学

State-Resolved Quantum Dynamics of Photodetachment of HCO2−/DCO2− on an Accurate Global Potential Energy Surface

Molecular Reaction Dynamics by Theory , 重庆大学

An experimental and theoretical study on rotational constants of vibrationally excited CH2OO

Molecular Reaction Dynamics by Theory , 重庆大学

Insights into the bond-selective reaction of Cl + HOD(nOH) → HCl + OD

Molecular Reaction Dynamics by Theory , 重庆大学

Mode specificity in the HF + OH → F + H2O reaction

Molecular Reaction Dynamics by Theory , 重庆大学

Hemibond complexes between H2S and free radicals (F, Cl, Br, and OH)

Molecular Reaction Dynamics by Theory , 重庆大学

A comparison study of the H + CH4 and H + SiH4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibration

Molecular Reaction Dynamics by Theory , 重庆大学

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