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Full-Dimensional Potential Energy Surface and Ro-vibrational Levels of Dioxirane

Molecular Reaction Dynamics by Theory , 重庆大学

Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations

Molecular Reaction Dynamics by Theory , 重庆大学

Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5

Molecular Reaction Dynamics by Theory , 重庆大学

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system

Molecular Reaction Dynamics by Theory , 重庆大学

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

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