#Richard Dawes

An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2

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

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

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

High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO)

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

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

An ab initio based full-dimensional global potential energy surface for FH2O(X2A′) and dynamics for the F + H2O → HF + HO reaction

Molecular Reaction Dynamics by Theory , 重庆大学

Quasi-Classical Trajectory Study of the HO + CO → H + CO2Reaction on a New ab Initio Based Potential Energy Surface

Molecular Reaction Dynamics by Theory , 重庆大学

Communication: A chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction

Molecular Reaction Dynamics by Theory , 重庆大学

LabXing 上可以免费创建课题组网站