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Thermal rate coefficients and kinetic isotope effects of the reaction HO + H2O -> H2O + OH 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2019, 卷号: 138, 期号: 9, 页码: 7
Authors:  Zhu, Yongfa;  Lu, Yunpeng;  Song, Hongwei
Favorite  |  View/Download:3/0  |  Submit date:2019/12/06
Hydrogen-transfer reaction  Kinetic isotope effects  Quantum tunneling effect  Transition state theory  Quasi-classical trajectory  
Kinetic and dynamic studies of the H-3(+) + CO -> H-2 + HCO+/HOC+ reaction on a high-level ab initio potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 5, 页码: 10
Authors:  Zhu, Yongfa;  Tian, Li;  Song, Hongwei;  Yang, Minghui
Favorite  |  View/Download:2/0  |  Submit date:2019/10/14
Theoretical studies of strong-field photoionization of CH3I 期刊论文
CHEMICAL PHYSICS, 2019, 卷号: 516, 页码: 28-32
Authors:  Shi, Fan;  Zhang, Yingfeng;  Qi, Ji;  Song, Hongwei;  Yang, Minghui
Favorite  |  View/Download:22/0  |  Submit date:2018/12/17
Theoretical studies for the infrared spectra of Ar-CO2 complex: Fundamental and combination bands 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 204, 页码: 308-316
Authors:  Zhao, Aiqing;  Shi, Lipeng;  Tian, Yanshan;  Zheng, Limin;  Zheng, Rui
Favorite  |  View/Download:21/0  |  Submit date:2018/11/05
Ar-co2 Complex  Potential Energy Surfaces  Intermolecular Vibrational Modes  Fundamental Band  Combination Bands  
Mode specific dynamics in bond selective reaction O '(P-3) + HOD -> O ' H plus OD/O ' D plus OH 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 5
Authors:  Zheng, Rui;  Zhu, Yongfa;  Song, Hongwei
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Understanding mode-specific dynamics in the local mode representation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 29, 页码: 19647-19655
Authors:  Song, Hongwei;  Yang, Minghui
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Calculations of long-range three-body interactions for He(n(0)(lambda)S)-He(n(0)(lambda)S)-He(n ' L-lambda(0)) 期刊论文
PHYSICAL REVIEW A, 2018, 卷号: 97, 期号: 4
Authors:  Yan, Pei-Gen;  Tang, Li-Yan;  Yan, Zong-Chao;  Babb, James F.
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An accurate prediction of the infrared spectra for Rg-CS2 (Rg = He, Ne, Ar) complexes in the v(1) + v(3) region of CS2 monomer 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 687, 页码: 31-37
Authors:  Lv, Jian;  Wang, Hongli;  Zheng, Limin;  Yang, Dapeng;  Zheng, Rui
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An accurate prediction of the infrared spectra for Rg-CS2 (Rg = He, Ne, Ar) complexes in the v(1) + v(3) region of CS2 monomer 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 687, 页码: 31-37
Authors:  Lv, Jian;  Wang, Hongli;  Zheng, Limin;  Yang, Dapeng;  Zheng, Rui
Favorite  |  View/Download:22/0  |  Submit date:2017/12/06
A theoretical study on the photodissociation mechanism of acetyl fluoride (CH3C(O)F) involving S-0, S-1, and T-1 states 期刊论文
CHEMICAL PHYSICS, 2017, 卷号: 491, 页码: 95-101
Authors:  Song, Xinli
Favorite  |  View/Download:22/0  |  Submit date:2017/12/06
Photodissociation Dynamics  Excited States  Intersystem Crossing  Acetyl Fluoride