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Quantum and quasi-classical dynamics of the OH + CO → H + CO2reaction on a new permutationally invariant neural network potential energy surface

Molecular Reaction Dynamics by Theory , 重庆大学

Effects of reactant rotational excitation on reactivity: Perspectives from the sudden limit

Molecular Reaction Dynamics by Theory , 重庆大学

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems

Molecular Reaction Dynamics by Theory , 重庆大学

Accurate Determination of Barrier Height and Kinetics for the F + H2O → HF + OH Reaction

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

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

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