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杨祚银

领域:新材料产业 学校:北京化工大学职称:副教授

主要研究领域是应用量子化学,比如化学反应的机理以及分子分子反应器对其内相反应的调控、可燃冰的笼型基本结构崩陷过程的能量变化等...

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教育背景

1988.9-1991.7 山西大学分子科学研究所 硕士研究生 获理学硕士学位 1998.9-2001.7 南开大学化学系 博士研究生 获理学博士学位 2001.8-2003.6 北京师范大学化学系 博士

工作经历

1991.7-1998.8 山西太原钢铁集团钢铁研究所 2003.7-至今 北京化工大学

项目课题经历

论文、成果、著作等

[1] Theoretical Study on the Tautomerization Reaction Formamide to Formamidic Acid Encapsulated in a Nano-sized Molecular Container, CHEM. RES. CHINESE UNIVERSITIES, 2009,25(1) 110-115 [2] Theoretical Study on Conformational Conversion of 1, 3-Dioxane inside a Capsular Host CHEM. RES. CHINESE UNIVERSITIES, 2008,24(2)241-245 [3] Theoretical probes of the host-guest complex: H-substituted cyclohexane encapsulated inside a self-assembled capsule, Journal of Molecular Structure: THEOCHEM. 2007, 819: 153-159 [4] Geometries and properties of bimetallic phosphido-bridged complex Cp(CO)2W(l-PPh2)W(CO)5 and Cp(CO)3W(l-PPh2)W(CO)5, Chem. Phys. 2007, 332: 33-38 [5] Theoretical study on conformational conversion of cyclohexane inside two cylindrical molecular capsules, Journal of Molecular Structure: THEOCHEM. 2006, 772: 39-44 [6] Computational Study of the Rearrangement Reaction Mechanism of Phenylcarbene in a Molecular Container: Cram’s Hemicarcerand, Journal of Molecular Structure: THEOCHEM. 2006,766:169-175 [7] Molecular and quantum mechanical studies on the monomer recognition of a highly-regular β- helical antifreeze protein. Science in China Ser. B,2004: 47(1), 34-40 [8] Computational Study on the Function of Water within a β-Helix Antifreeze Protein Dimer and in the Process of Ice-Protein Binding,Biophys. J. 2003, 85(4): 2599-2605

专利、著作版权等

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