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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

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

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