Browse/Search Results:  1-10 of 13 Help

Selected(0)Clear Items/Page:    Sort:
Theoretical study of hydrogen bonding interaction of 1 : 1 dimer of HNO with HArF 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2007, 卷号: 20, 期号: 1, 页码: 37-42
Authors:  Liu, Ying;  Liu, Wen-qing;  Li, Hai-yang;  Yang, Yong;  Cheng, Shuang
Favorite  |  View/Download:11/0  |  Submit date:2015/11/11
Blue-shifted Hydrogen Bond  Atoms In Molecules Topological Analysis  Natural Bond Orbital Analysis  Electron Density Redistribution  
Interaction of the important species HNO and HFSO2 in the atmosphere: Theoretical study of the N-H and S-H blue-shifted hydrogen bonds 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2007, 卷号: 107, 期号: 2, 页码: 396-402
Authors:  Liu, Ying;  Liu, Wenqing;  Li, Haiyang;  Yang, Yong;  Cheng, Shuang
Favorite  |  View/Download:18/0  |  Submit date:2015/11/11
Blue-shifted Hydrogen Bond  Electron Density Redistribution  Structure Reorganization  Rehybridizative Effect  
Hydrogen bonding interaction of formic acid-, formaldehyde-, formylfluoride-nitrosyl hydride: Theoretical study on the gieometries, interaction energies and blue- or red-shifted hydrogen bonds 期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2007, 卷号: 25, 期号: 1, 页码: 44-52
Authors:  Liu Ying;  Liu Wen-Qing;  Li Hai-Yang;  Yang Yong;  Cheng Shuang
Favorite  |  View/Download:12/0  |  Submit date:2015/11/11
Hyperconjugation  Rehybridization  Electron Density Redistribution  Geometric Reorganization  Red- Or Blue-shifted Hydrogen Bond  
HIO3分子的密度泛函理论研究 期刊论文
原子与分子物理学报, 2007, 卷号: 24, 期号: 2, 页码: 335-345
Authors:  刘颖;  刘文清;  李海洋;  程爽;  刘颖;  刘文清;  李海洋;  程爽
Favorite  |  View/Download:133/0  |  Submit date:2010/11/30
Li+ ion attached to fluoromethyl peroxy1 radicals:structure and ProPerties of Li+-CH3-nFnO2(n=0~3)Complexes 期刊论文
量子电子学报, 2007, 卷号: 24, 期号: 2, 页码: 146-152
Authors:  程爽;  李海洋
Favorite  |  View/Download:111/0  |  Submit date:2010/11/30
HCOOH;HCOH;HCOF和HNO氢键相互作用:结构;相互作用能;红移或蓝移氢键的理论研究 期刊论文
Chinese Journal of Chemistry(中国期刊), 2007, 卷号: 25, 期号: 1, 页码: 44-52
Authors:  刘颖;  刘文清;  李海洋;  杨颙;  程爽;  刘颖;  刘文清;  李海洋;  杨颙;  程爽
Favorite  |  View/Download:349/0  |  Submit date:2010/11/30
Computational study of hydrogen bonding interaction between formamide and nitrosyl hydride 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2006, 卷号: 778, 期号: 1-3, 页码: 49-53
Authors:  Liu, Ying;  Liu, Wenqing;  Li, Haiyang;  Yang, Yong;  Cheng, Shuang;  Liu Y(刘颖);  Liu Y(刘颖)
Favorite  |  View/Download:139/0  |  Submit date:2010/11/30
Density Functional Theory (Dft)  Hyperconjugation  Rehybridization  Electron Density Redistribution  
Proton and alkali metal ions attached to alkylperoxyl radicals: Structure and stability of M+-CnH2n+1O2 (M = H, Li, Na, K; n=1 similar to 3) complexes 期刊论文
Authors:  Cheng, Shuang;  Li, Haiyang;  Liu, Ying;  Liang, Jun;  Pei, Kemei;  Niu, Dongmei
Favorite  |  View/Download:19/0  |  Submit date:2015/11/11
Alkylperoxyl  Ion Attachment Mass Spectrometry  Proton  
Cluster-assisted generation of multi-charged ions in nanosecond laser ionization of pulsed hydrogen sulfide beam at 1064 and 532 nm 期刊论文
CHINESE PHYSICS, 2006, 卷号: 15, 期号: 7, 页码: 1511-1516
Authors:  Niu Dong-Mei;  Li Hai-Yang;  Luo Xiao-Lin;  Liang Feng;  Cheng Shuang;  Li An-Lin;  Li HY(李海洋);  Li HY(李海洋)
Favorite  |  View/Download:126/0  |  Submit date:2010/11/30
Cluster  Multi-charged Ion  Inverse Bremsstrahlung Absorption  Electron Impact Ionization  
Li+ ion attachment to chloromethyl and chlorofluoromethyl peroxyl radicals: Structures and properties of CHnCl3-nO2-Li+ and CFnCl3-nO2-Li+ (n=0-3) complexes 期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2006, 卷号: 24, 期号: 7, 页码: 849-854
Authors:  Cheng Shuang;  Li Hai-Yang;  Liu Ying
Favorite  |  View/Download:11/0  |  Submit date:2015/11/11
Chloromethyl  Chlorofluoromethyl Peroxyl  Ion Attachment Mass Spectrometry