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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, Qizhen;  Storchi, Loriano;  Coletti, Cecilia;  Li, Jia;  Sun, Quanhua
收藏  |  浏览/下载：0/0  |  提交时间：2024/05/14
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
收藏  |  浏览/下载：1/0  |  提交时间：2024/01/22
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, Qizhen;  Bartolomei, Massimiliano;  Coletti, Cecilia;  Lombardi, Andrea;  Sun, Quanhua
收藏  |  浏览/下载：34/0  |  提交时间：2022/03/05
Vibrational Energy Transfer in CO+N2 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: 7152
作者:  Hong Qizhen;  Bartolomei M;  Coletti C;  Lombardi A;  Sun Quanhua
收藏  |  浏览/下载：35/0  |  提交时间：2022/01/06
Energy exchange rate coefficients from vibrational inelastic O-2(Sigma g-3) + O-2(Sigma g-3) collisions on a new spin-averaged potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2021, 卷号: 154, 期号: 6, 页码: 16
作者:  Hong QZ(洪启臻);  Sun QH(孙泉华);  Pirani, Fernando;  ValentinRodriguez, Monica A;  HernandezLamoneda, Ramon
收藏  |  浏览/下载：29/0  |  提交时间：2021/04/19
Quantitative studies on the structure of xCaO center dot(1-x)SiO2 glasses and melts by in-situ Raman spectroscopy, Si-29 MAS NMR and quantum chemistry ab initio calculation 期刊论文
JOURNAL OF NON-CRYSTALLINE SOLIDS, 2020, 卷号: 546
作者:  Ma, Jinjin;  Wang, Min;  You, Jinglin;  Tang, Kai;  Lu, Liming
收藏  |  浏览/下载：23/0  |  提交时间：2020/11/30
Reactivity descriptors of diverse copper-oxo species on ZSM-5 zeolite towards methane activation 期刊论文
CATALYSIS TODAY, 2019, 卷号: 338, 页码: 108-116
作者:  Wang, Guiru;  Chen, Wei;  Huang, Ling;  Liu, Zhiqiang;  Sun, Xianyong
收藏  |  浏览/下载：65/0  |  提交时间：2019/12/06
Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networks 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 36, 页码: 20372-20383
作者:  Yin, Zhengxi;  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：43/0  |  提交时间：2019/12/02
Two-layer Gaussian-based MCTDH study of the S-1 <- S-0 vibronic absorption spectrum of formaldehyde using multiplicative neural network potentials 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 6, 页码: 13
作者:  Koch, Werner;  Bonfanti, Matteo;  Eisenbrandt, Pierre;  Nandi, Apurba;  Fu, Bina
收藏  |  浏览/下载：38/0  |  提交时间：2019/12/02
Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 (2)A ' states of LiFH 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 26, 页码: 14205-14213
作者:  Guan, Yafu;  Zhang, Dong H.;  Guo, Hua;  Yarkony, David R.
收藏  |  浏览/下载：32/0  |  提交时间：2019/12/02

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