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SOLVING THE SINGLE LAYER MULTICONFIGURATION TIME-DEPENDENT HARTREE-FOCK EQUATION IN SECOND QUANTIZATION REPRESENTATION BASED ON A DECOMPOSITION OF THE OVERALL FOCK SPACE 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2013, 卷号: 12, 期号: 1
Authors:  Li, Wenliang;  Wenwu, X.;  Keli, H.
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Electron-electron Correlations  Multi-layer Mctdhf  Second Quantization Representation  Multi-electron Dynamics  
SOLVING THE SINGLE LAYER MULTICONFIGURATION TIME-DEPENDENT HARTREE-FOCK EQUATION IN SECOND QUANTIZATION REPRESENTATION BASED ON A DECOMPOSITION OF THE OVERALL FOCK SPACE 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2013, 卷号: 12, 期号: 1
Authors:  Li, Wenliang;  Wenwu, X.;  Keli, H.
Favorite  |  View/Download:10/0  |  Submit date:2015/11/09
Electron-electron Correlations  Multi-layer Mctdhf  Second Quantization Representation  Multi-electron Dynamics  
Substituent Effects on the Intramolecular Charge Transfer and Fluorescence of Bimetallic Platinum Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 卷号: 115, 期号: 24, 页码: 6390-6393
Authors:  Zhao, Guang-Jiu;  Yu, Fabiao;  Zhang, Ming-Xing;  Northrop, Brian H.;  Yang, Haibo;  Han, Ke-Li;  Stang, Peter J.;  Han KL(韩克利)
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The Effect of Intermolecular Hydrogen Bonding on the Fluorescence of a Bimetallic Platinum Complex 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 卷号: 114, 期号: 34, 页码: 9007-9013
Authors:  Zhao, Guang-Jiu;  Northrop, Brian H.;  Han, Ke-Li;  Stang, Peter J.;  Han KL(韩克利);  P.J.Stang
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Photophysical Properties of Coordination-Driven Self-Assembled Metallosupramolecular Rhomboids: Experimental and Theoretical Investigations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 卷号: 114, 期号: 10, 页码: 3418-3422
Authors:  Zhao, Guang-Jiu;  Northrop, Brian H.;  Stang, Peter J.;  Han, Ke-Li;  Peter J.Stang;  Han KL(韩克利)
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Anion-Exchange-Triggered 1,3-Shift of an NH Proton to Iridium in Protic N-Heterocyclic Carbenes: Hydrogen-Bonding and Ion-Pairing Effects 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2010, 卷号: 49, 期号: 5, 页码: 912-917
Authors:  Song, Guoyong;  Su, Yan;  Periana, Roy A.;  Crabtree, Robert H.;  Han, Keli;  Zhang, Hongjie;  Li, Xingwei
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C-h Activation  Iridium  N-heterocyclic Carbenes  Tautomerism  
COMPUTATIONAL STUDY FOR BINDING OF OSCILLARIN TO HUMAN alpha-THROMBIN 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2009, 卷号: 8, 期号: 4, 页码: 551-560
Authors:  Wu, Emilia L.;  Han, Keli;  Zhang, John Z. H.;  Han KL(韩克利)
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Mfcc  Molecular Dynamics  Oscillarin  Thrombin  
The C+CH Reaction on 2 Electronic states 会议论文
, 中国, 2009-6-6
Authors:  Yang H(杨欢);  Han KL(韩克利)
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Global Dynamics and Transition State Theories: Comparative Study of Reaction Rate Constants for Gas-Phase Chemical Reactions 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2009, 卷号: 30, 期号: 2, 页码: 305-316
Authors:  Ju, Li-Ping;  Han, Ke-Li;  Zhang, John Z. H.;  Han KL(韩克利)
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Quantum Dynamics  Quasi-classical Trajectory  Transition State Theory  Rate Constant  Recrossing  Pes  
Integral and differential cross sections for the S(1D)+HD reaction employing the ground adiabatic electronic state 期刊论文
Physical Chemistry Chemical Physics, 2009, 卷号: 11, 页码: 11587-11595
Authors:  Yang H(杨欢);  Han KL(韩克利);  G. C. Schatz;  Li SH(李世煌);  Liu GP(刘国平);  S. C.Smith;  M.Hankel
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