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Cycloreversion of formylcyclobutane radical anion: Two-step rotating mechanism 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 卷号: 108, 期号: 24, 页码: 5253-5257
Authors:  Qu, ZW;  Zhu, H;  Zhang, RB;  Zhang, XD;  Ai, XC;  Zhang, XK;  Zhang, QY
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The reaction of formyl radical with chlorine atom 期刊论文
CHEMICAL PHYSICS LETTERS, 2004, 卷号: 386, 期号: 4-6, 页码: 384-389
Authors:  Qu, ZW;  Dong, F;  Zhang, QY;  Kong, FN
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Density functional investigation of reaction of borohydride cation BH2+ with propylene 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 卷号: 25, 期号: 2, 页码: 258-264
Authors:  Qu, ZW;  Zhu, H;  Li, ZS;  Zhang, XK;  Zhang, QY
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Potential Energy Surface  Reaction Mechanism  Borohydride Cation  Alkene  
Studies of the solvent effects on the internal reorganization energy for electron transfer of uracil and its anion with ONIOM 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 卷号: 624, 页码: 169-176
Authors:  Zhang, RB;  Zhang, XD;  Qu, ZW;  Ai, XC;  Zhang, XK;  Zhang, QY
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Solvent Effect  Internal Reorganization Energy Of Electron Transfer  Electron Affinity  Uracil-water Hydration Complex  Oniom  
The reaction of formaldehyde with chlorine atom 期刊论文
CHEMICAL PHYSICS LETTERS, 2003, 卷号: 371, 期号: 1-2, 页码: 29-34
Authors:  Dong, F;  Qu, ZW;  Zhang, QY;  Kong, F
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Density functional investigation on electron-transfer catalysis of cycloreversion of cyclobutane: Radical anion mechanism 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 卷号: 24, 期号: 3, 页码: 340-344
Authors:  Qu, ZW;  Zhu, H;  Zhang, XK;  Zhang, QY
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Density Functional Calculations  Reaction Mechanism  Cyclobutane  Radical Anion  Cycloreversion  
Density functional investigations on the (H2O)(n) center dot CCH and (H2O)(n) center dot HCC complexes (n=1-3) 期刊论文
CHEMICAL PHYSICS LETTERS, 2003, 卷号: 367, 期号: 1-2, 页码: 245-251
Authors:  Qu, ZW;  Zhu, H;  Zhang, XK;  Zhang, QY
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Theoretical studies on the mechanism of the proton-transfer-coupled electron transfer reactions between menaquinone Q(A) and ubiquinone Q(B) in the bacterial photosynthetic reaction center of Rhodopseudomona viridis 期刊论文
ACTA BOTANICA SINICA, 2002, 卷号: 44, 期号: 12, 页码: 1409-1417
Authors:  Ma, SH;  Xu, H;  Zhang, RB;  Qu, ZW;  Zhang, XK;  Zhang, QY
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Rhodopseudomena Viridis  Electron Transfer  Proton Transfer  q(a) And q(b)  Dft  
Theoretical studies on the influence of molecular interactions on the mechanism of electron transfer in photosynthetic reaction center of Rps. viridis 期刊论文
SCIENCE IN CHINA SERIES B-CHEMISTRY, 2002, 卷号: 45, 期号: 6, 页码: 570-585
Authors:  Xu, H;  Zhang, RB;  Qu, ZW;  Zhang, XK;  Zhang, QY
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Bacteria Photosynthetic Reaction Center  Electron Transfer  Pigment Molecule  Interaction Between Pigment Molecules And Neighboring Amino Acid Residue  Dft  
Density functional investigation on the cycloreversion of cyclobutane radical cation: new reaction mechanism 期刊论文
CHEMICAL PHYSICS LETTERS, 2002, 卷号: 360, 期号: 3-4, 页码: 283-288
Authors:  Qu, ZW;  Zhu, H;  Zhang, XD;  Ai, XC;  Zhang, JP;  Zhang, XK;  Zhang, QY
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