Jun Li
0000-0003-2392-8322
Chongqing University
59 papers found
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Advances and New Challenges to Bimolecular Reaction Dynamics Theory
Quasi-classical dynamics investigations of the F + D 2 O → DF + OD reaction on a full dimensional accurate potential energy surface
Tracking the energy flow in the hydrogen exchange reaction OH + H2O → H2O + OH
Effects of vibrational excitation on the F + H2O → HF + OH reaction: dissociative photodetachment of overtone-excited [F–H–OH]−
Quasi-classical trajectory studies on the full-dimensional accurate potential energy surface for the OH + H2O = H2O + OH reaction
Potential energy surfaces from high fidelity fitting ofab initiopoints: the permutation invariant polynomial - neural network approach
Imaging a multidimensional multichannel potential energy surface: Photodetachment of H−(NH3) and NH4−
Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks
Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface
An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2
Ring-polymer molecular dynamical calculations for the F + HCl → HF + Cl reaction on the ground 12A′ potential energy surface
Mode specific dynamics in the H2+ SH → H + H2S reaction
Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction
Permutationally invariant fitting of intermolecular potential energy surfaces: A case study of the Ne-C2H2 system
Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods
Full-Dimensional Potential Energy Surface and Ro-vibrational Levels of Dioxirane
Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations
Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
From ab initio potential energy surfaces to state-resolved reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O((3)P)] reactions
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