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CORC

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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：8/0  |  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, Qizhen;  Storchi, Loriano;  Coletti, Cecilia;  Li, Jia;  Sun, Quanhua
收藏  |  浏览/下载：5/0  |  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：7/0  |  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, Qizhen;  Bartolomei, Massimiliano;  Pirani, Fernando;  Esposito, Fabrizio;  Sun, Quanhua
收藏  |  浏览/下载：32/0  |  提交时间：2022/09/16
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
收藏  |  浏览/下载：36/0  |  提交时间：2022/03/05
Anharmonic Raman spectra simulation of crystals from deep neural networks 期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 3, 页码: 6
作者:  Shang, Honghui;  Wang, Haidi
收藏  |  浏览/下载：19/0  |  提交时间：2021/12/01
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：31/0  |  提交时间：2021/04/19
Energy exchange rate coefficients from vibrational inelastic O2(Σg−3) + O2(Σg−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: 064304
作者:  Hong QZ(洪启臻);  Sun QH(孙泉华);  Pirani F;  Valentín-Rodríguez M;  Hernández-Lamoneda R
收藏  |  浏览/下载：23/0  |  提交时间：2021/02/20
Highly efficient reduction of O-2-containing CO2 via chemical looping based on perovskite nanocomposites 期刊论文
NANO ENERGY, 2020, 卷号: 78, 页码: 8
作者:  Zheng, Yan'e;  Liao, Xiangbiao;  Xiao, Hang;  Haribal, Vasudev;  Shi, Xiaoyang
收藏  |  浏览/下载：35/0  |  提交时间：2021/10/25
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：41/0  |  提交时间：2019/12/02

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