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Mixed Quantum-Classical Approaches to Calculating Charge Transfer Rate Constants: Applications to Realistic Systems 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2010, 卷号: 26, 期号: 7, 页码: 1645-1648
Authors:  Nan GJ(南广军);  Shuai ZG(帅志刚);  Shi Q(史强);  Zheng RH(郑仁慧)
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Multiscale study of charge mobility of organic semiconductor with dynamic disorders 期刊论文
Physical chemistry chemical physics, 2010, 卷号: 12, 期号: 13, 页码: 251-258
Authors:  Wang LJ(王林军);  Li QK(李启楷);  Shuai ZG(帅志刚);  Chen LP(陈丽平);  Shi Q(史强)
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Balanced carrier transports of electrons and holes in silole-based compounds - A theoretical study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 卷号: 110, 期号: 22, 页码: 7138-7143
Authors:  Yin, SW;  Yi, YP;  Li, QX;  Yu, G;  Liu, YQ;  Shuai, ZG
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Binaphthalene molecules with tetrathiafulvalene units: CD spectrum modulation and new chiral molecular switches by reversible oxidation and reduction of tetrathiafulvalene units 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2006, 卷号: 71, 期号: 5, 页码: 2123-2130
Authors:  Zhou, YC;  Zhang, DQ;  Zhu, LY;  Shuai, ZG;  Zhu, DB
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First-principle band structure calculations of tris(8-hydroxyquinolinato)aluminum 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 卷号: 110, 期号: 7, 页码: 3180-3184
Authors:  Yang, YT;  Geng, H;  Yin, SW;  Shuai, ZG;  Peng, JB
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Dendritic BIPHEP: Synthesis and application in asymmetric hydrogenation of beta-ketoesters 期刊论文
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 2006, 卷号: 244, 期号: 1-2, 页码: 118-123
Authors:  Deng, GJ;  Li, GR;  Zhu, LY;  Zhou, HF;  He, YM;  Fan, QH;  Shuai, ZG
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Dendritic Ligand  Chiral Diphosphine  Ruthenium Complex  Asymmetric Hydrogenation  
Geometric and electronic structures of the boron-doped photocatalyst TiO2 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 卷号: 18, 期号: 1, 页码: 87-96
Authors:  Geng, H;  Yin, SW;  Yang, X;  Shuai, ZG;  Liu, BG
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Single crystalline submicrotubes from small organic molecules 期刊论文
CHEMISTRY OF MATERIALS, 2005, 卷号: 17, 期号: 25, 页码: 6430-6435
Authors:  Zhao, YS;  Yang, WS;  Xiao, DB;  Sheng, XH;  Yang, X;  Shuai, ZG;  Luo, Y;  Yao, JN
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Efficient blue electroluminescent device using tetra(beta-naphthyl)silane as a hole-blocking material 期刊论文
APPLIED PHYSICS LETTERS, 2005, 卷号: 87, 期号: 22
Authors:  Yu, G;  Xu, XJ;  Liu, YQ;  Jiang, ZQ;  Yin, SW;  Shuai, ZG;  Zhu, DB;  Duan, XB;  Lu, P
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Effects of intermolecular interaction and molecule-electrode couplings on molecular electronic conductance 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 卷号: 109, 期号: 25, 页码: 12304-12308
Authors:  Geng, H;  Yin, SW;  Chen, KQ;  Shuai, ZG
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