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The Journal of Physical Chemistry. A|October 10, 2023
A Gaussian Process Based Δ-Machine Learning Approach to Reactive Potential Energy SurfacesYang Liu, Hua Guo
The Journal of Physical Chemistry. A|July 8, 2025
Kinetics and Product Branching in Dihydrogen Activation by Gaseous Manganese Monoxide CationsYang Liu, Milan Ončák, Hua Guo
Physical Chemistry Chemical Physics : PCCP|June 25, 2026
Dynamics of CO2 activation by gas-phase transition metal ions: the importance of intersystem crossingMarcel Meta, Yang Liu, Hua Guo, et al.
The Journal of Chemical Physics|May 4, 2026
Full-dimensional potential energy surface for the H2 + N2 system and quantum scattering calculations of collision-induced rotational energy transferYang Liu, Jacqueline Stordock, Naduvalath Balakrishnan, et al.
Physical Chemistry Chemical Physics : PCCP|September 29, 2025
Two-dimensional ring polymer molecular dynamics determination of the MnO+ + H2/D2 reaction rates on a Δ-machine learned potential energy surfaceYang Liu, Chen Li, Milan Ončák, et al.
Physical Chemistry Chemical Physics : PCCP|November 8, 2022
An accurate full-dimensional H4O potential energy surface and dynamics of an exchange reactionJia Li, Yang Liu, Hua Guo, et al.
Journal of the American Chemical Society|February 4, 2020
Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator ModeYang Liu, Hongwei Song, Daiqian Xie, et al.
Physical Chemistry Chemical Physics : PCCP|January 2, 2025
State-to-state scattering of highly vibrationally excited NO with argon at collision energies over 1 eVChatura Perera, Ethan Ross, Yang Liu, et al.
The Journal of Chemical Physics|February 28, 2021
Potential energy surfaces for high-energy N + O2 collisionsZoltan Varga, Yang Liu, Jun Li, et al.
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