DICP OpenIR

Browse/Search Results:  1-10 of 558 Help

Selected(0)Clear Items/Page:    Sort:
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  
An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 期号: 13, 页码: 8
Authors:  Zhao, Hailin;  Umer, Umair;  Hu, Xixi;  Xie, Daiqian;  Sun, Zhigang
Favorite  |  View/Download:8/0  |  Submit date:2019/06/20
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:7/0  |  Submit date:2019/06/25
Cationic cobalt  Carbon dioxide  Structure  Infrared photodissociation spectroscopy  Quantum chemical calculation  
Preliminary investigation of the degradation mechanism of o, m and p-cresol using sludge-derived carbon nanosheets by catalytic oxidation based on quantum chemistry 期刊论文
CATALYSIS COMMUNICATIONS, 2019, 卷号: 120, 页码: 59-65
Authors:  Ma, Lei;  Jin, Chengyu;  An, Luyang;  Huang, Long;  Li, Linjun;  Jin, Haibo;  Liang, Bo;  Wei, Huangzhao;  Sun, Chenglin
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Advanced oxidation  Sludge-derived carbon nanosheets  Quantum chemical calculation  Cresols  
Kinetics of the reaction of the simplest Criegee intermediate with ammonia: a combination of experiment and theory 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 47, 页码: 29669-29676
Authors:  Liu, Yiqiang;  Yin, Cangtao;  Smith, Mica C.;  Liu, Siyue;  Chen, Maodu;  Zhou, Xiaohu;  Xiao, Chunlei;  Dai, Dongxu;  Lin, Jim Jr-Min;  Takahashi, Kaito;  Dong, Wenrui;  Yang, Xueming
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
A new global analytical potential energy surface of NaH2+ system and dynamical calculation for H(S-2) + NaH+(X-2 Sigma(+)) -> Na+(S-1) + H-2(X-1 Sigma(+)(g)) reaction 期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 700, 页码: 122-129
Authors:  Yuan, Meiling;  Li, Wentao;  Yuan, Jiuchuang
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Photoelectron Velocity Map Imaging Spectroscopy of Heteronuclear Metal-Nickel Carbonyls MNi(CO)(n)(-) (M = Sc, Y; n=2-6) 期刊论文
TOPICS IN CATALYSIS, 2018, 卷号: 61, 期号: 1-2, 页码: 71-80
Authors:  Xie, Hua;  Zou, Jinghan;  Yuan, Qinqin;  Zhang, Jumei;  Fan, Hongjun;  Jiang, Ling
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Photoelectron Spectroscopy  Co Activation  Heteronuclear Metal Carbonyl  Quantum Chemical Calculation  
On the solvation of hydronium by carbon dioxide: Structural and infrared spectroscopic study of (H3O+)(CO2)(n) 期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 501, 页码: 1-7
Authors:  Yang, Jianpeng;  Kong, Xiangtao;  Jiang, Ling
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Hydronium  Carbon Dioxide  Solvation  Infrared Photodissociation Spectroscopy  Quantum Chemical Calculation  
A Revisit to the Orthogonal Bodipy Dimers: Experimental Evidence for the Symmetry Breaking Charge Transfer-Induced Intersystem Crossing 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 5, 页码: 2502-2511
Authors:  Liu, Ya;  Zhao, Jianzhang;  Iagatti, Alessandro;  Bussotti, Laura;  Foggi, Paolo;  Castellucci, Elena;  Di Donato, Mariangela;  Han, Ke-Li
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
A global potential energy surface and time-dependent quantum wave packet calculation of Au+H-2 reaction 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 3
Authors:  Yuan, Meiling;  Li, Wentao;  Yuan, Jiuchuang;  Chen, Maodu
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Auh2 System  Integral Cross-section  Neural Network  Potential Energy Surface  Time-dependent Wave Packet