DICP OpenIR

Browse/Search Results:  1-10 of 825 Help

Selected(0)Clear Items/Page:    Sort:
Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling 期刊论文
NATURE CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 744-749
Authors:  Yang, Tiangang;  Huang, Long;  Xiao, Chunlei;  Chen, Jun;  Wang, Tao;  Dai, Dongxu;  Lique, Francois;  Alexander, Millard H.;  Sun, Zhigang;  Zhang, Dong H.;  Yang, Xueming;  Neumark, Daniel M.
Favorite  |  View/Download:4/0  |  Submit date:2019/12/02
Structures, energetics, and infrared spectra of the cationic monomethylamine clusters 期刊论文
CHEMICAL PHYSICS, 2019, 卷号: 523, 页码: 7-11
Authors:  Jiang, Shuai;  Zhang, Xiaoli;  Zheng, Xiucheng;  Kong, Xiangtao
Favorite  |  View/Download:3/0  |  Submit date:2019/06/25
Monomethylamine  Structure  Energetics  Infrared photodissociation  Spectroscopy  Quantum chemical calculation  
Full dimensional quantum mechanical calculations of the reaction probability of the H + NH3 collision based on a mixed Jacobi and Radau description 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 期号: 20, 页码: 9
Authors:  Zhang, Zhaojun;  Gatti, Fabien;  Zhang, Dong H.
Favorite  |  View/Download:1/0  |  Submit date:2019/12/02
Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976
Authors:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui
Favorite  |  View/Download:7/0  |  Submit date:2019/06/25
Notable effect of water on excess electron attachment to aqueous DNA deoxyribonucleosides 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 17, 页码: 8925-8932
Authors:  Zhang, Yan;  Wang, Jiayue;  Yang, Songqiu
Favorite  |  View/Download:1/0  |  Submit date:2019/12/02
Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 17, 页码: 3703-3708
Authors:  Yang, Dong;  Kong, Xiangtao;  Zheng, Huijun;  Su, Mingzhi;  Zhao, Zhi;  Xie, Hua;  Fan, Hongjun;  Zhang, Weiqing;  Jiang, Ling
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
Authors:  Xu, Zhen-Zhen;  Fan, Hong-Jun
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
binding enthalpy  conformational search  hydrogen bond  proton transfer  ternary cluster  
Structural Evolution and Electronic Properties of Au2Gen-/0 (n=1-8) Clusters: Anion Photoelectron Spectroscopy and Theoretical Calculations 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 2, 页码: 229-240
Authors:  Lu, Sheng-Jie;  Farooq, Umar;  Xu, Hong-Guang;  Xu, Xi-Ling;  Zheng, Wei-Jun
Favorite  |  View/Download:10/0  |  Submit date:2019/06/25
Photoelectron spectroscopy  Transition metal  Germanium cluster  Structural evolution  Quantum chemical calculations  
Infrared Photodissociation Spectroscopic and Theoretical Study of [Co(CO2)(n)](+) Clusters 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 2, 页码: 223-228
Authors:  Yang, Dong;  Su, Ming-zhi;  Zheng, Hui-jun;  Zhao, Zhi;  Li, Gang;  Kong, Xiang-tao;  Xie, Hua;  Fan, Hong-jun;  Zhang, Wei-qing;  Jiang, Ling
Favorite  |  View/Download:12/0  |  Submit date:2019/06/25
Cationic cobalt  Carbon dioxide  Structure  Infrared photodissociation spectroscopy  Quantum chemical calculation  
Structural evolution and electronic properties of CoSin- (n=3-12) clusters: mass-selected anion photoelectron spectroscopy and quantum chemistry calculations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 11, 页码: 6207-6215
Authors:  Yang, Bin;  Xu, Xi-Ling;  Xu, Hong-Guang;  Farooq, Umar;  Zheng, Wei-Jun
Favorite  |  View/Download:9/0  |  Submit date:2019/06/20