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Potential energy surfaces from high fidelity fitting ofab initiopoints: the permutation invariant polynomial - neural network approach

Molecular Reaction Dynamics by Theory , 重庆大学

Ring-polymer molecular dynamical calculations for the F + HCl → HF + Cl reaction on the ground 12A′ potential energy surface

Molecular Reaction Dynamics by Theory , 重庆大学

Full-dimensional global potential energy surfaces describing abstraction and exchange for the H + H2S reaction

Molecular Reaction Dynamics by Theory , 重庆大学

Imaging a multidimensional multichannel potential energy surface: Photodetachment of H−(NH3) and NH4−

Molecular Reaction Dynamics by Theory , 重庆大学

Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks

Molecular Reaction Dynamics by Theory , 重庆大学

Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface

Molecular Reaction Dynamics by Theory , 重庆大学

Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction

Molecular Reaction Dynamics by Theory , 重庆大学

Permutationally invariant fitting of intermolecular potential energy surfaces: A case study of the Ne-C2H2 system

Molecular Reaction Dynamics by Theory , 重庆大学

Rate Coefficient for the4Heμ + CH4Reaction at 500 K: Comparison between Theory and Experiment

Molecular Reaction Dynamics by Theory , 重庆大学

Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods

Molecular Reaction Dynamics by Theory , 重庆大学

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