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Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory for Hyperthermal Collisions in the O2+O2 System 期刊论文
CHEMPHYSCHEM, 2024, 页码: 15
作者:  Jiang, Jie;  Yang, Jiawei;  Hong QZ(洪启臻);  Sun QH(孙泉华);  Li, Jun
收藏  |  浏览/下载：32/0  |  提交时间：2024/05/27
Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2024, 卷号: 160, 期号: 8, 页码: 15
作者:  Hong QZ(洪启臻);  Storchi, Loriano;  Coletti, Cecilia;  Li, Jia;  Sun QH(孙泉华);  Li, Jun
收藏  |  浏览/下载：22/0  |  提交时间：2024/05/14
Function of cleavage strength for symmetrical tilt grain boundaries 期刊论文
ENGINEERING FRACTURE MECHANICS, 2024, 卷号: 295, 页码: 14
作者:  Hu SW(胡世威);  Liang, Hao;  Yin, Yihui;  Liang, Yanxiang;  Zhang, Yuanzhang;  Yan, Yabin;  Li, Xiang
收藏  |  浏览/下载：92/0  |  提交时间：2024/02/05
Cleavage strength  Grain boundaries  Theoretical model  Ab initio tensile simulation  Critical energy release rate  
Collision integrals of electronically excited atoms in air plasmas. I. N-N and O-O interactions 期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2023, 卷号: 32, 期号: 12, 页码: 28
作者:  Zhao WS(赵文胜);  Hong QZ(洪启臻);  Yang, Chao;  Sun QH(孙泉华);  Hu Y(胡远)
Adobe PDF(1803Kb)  |  收藏  |  浏览/下载：90/15  |  提交时间：2024/01/02
collision integrals  potential energy curves  air plasmas  N-N and O-O interactions  electronic excitation  
Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571
作者:  Hong QZ(洪启臻);  Storchi, Loriano;  Sun QH(孙泉华);  Bartolomei, Massimiliano;  Pirani, Fernando;  Coletti, Cecilia
Adobe PDF(5231Kb)  |  收藏  |  浏览/下载：74/12  |  提交时间：2024/01/22
Vibrational deactivation in O(P-3) + N-2 collisions: from an old problem towards its solution 期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2022, 卷号: 31, 期号: 8, 页码: 16
作者:  Hong QZ(洪启臻);  Bartolomei, Massimiliano;  Pirani, Fernando;  Esposito, Fabrizio;  Sun QH(孙泉华);  Coletti, Cecilia
Adobe PDF(2972Kb)  |  收藏  |  浏览/下载：367/59  |  提交时间：2022/09/16
vibrational relaxation  non-adiabatic transitions  N-2 + O collisions  V-T rate coefficients  V-E rate coefficients  
Surface reconstruction establishing Mott-Schottky heterojunction and built-in space-charging effect accelerating oxygen evolution reaction 期刊论文
NANO RESEARCH, 2022, 卷号: 15, 期号: 4, 页码: 2952-2960
作者:  Kang Y;  Wang S;  Hui KS;  Wu SX;  Dinh DA;  Fan X;  Bin F(宾峰);  Chen FM;  Geng JX;  Cheong WCM;  Hui KN
Adobe PDF(4544Kb)  |  收藏  |  浏览/下载：299/50  |  提交时间：2022/01/12
F anions  dynamic migration  nickel hydroxides  surface reconstruction  oxygen evolution reaction (OER)  
Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients 期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27
作者:  Hong QZ(洪启臻);  Bartolomei, Massimiliano;  Coletti, Cecilia;  Lombardi, Andrea;  Sun QH(孙泉华);  Pirani, Fernando
Adobe PDF(735Kb)  |  收藏  |  浏览/下载：298/25  |  提交时间：2022/03/05
vibrational energy transfer  inelastic scattering  potential energy surface  rate coefficients database  quantum-classical nuclear dynamics  quasi-classical trajectories  
Reconciling experimental and theoretical vibrational deactivation in low-energy O + N-2 collisions 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 卷号: 23, 期号: 29, 页码: 5
作者:  Hong QZ(洪启臻);  Bartolomei, Massimiliano;  Esposito, Fabrizio;  Coletti, Cecilia;  Sun QH(孙泉华);  Pirani, Fernando
Adobe PDF(3296Kb)  |  收藏  |  浏览/下载：532/106  |  提交时间：2021/08/03
vibronic transition  
Ideas and perspectives: the same carbon behaves like different elements - an insight into position-specific isotope distributions 期刊论文
BIOGEOSCIENCES, 2020, 卷号: 17, 期号: 19, 页码: 4785-4795
作者:  He YY(何雨旸);  Cao XB;  Bao HM
Adobe PDF(679Kb)  |  收藏  |  浏览/下载：365/62  |  提交时间：2020/11/30