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Your search keyword '"Ru-Yun Ji"' showing total 3 results
Start Over Author "Ru-Yun Ji" Publisher american chemical society
3 results on '"Ru-Yun Ji"'

1. A density-functional study of the mechanism for the diastereoselective epoxidation of chiral allylic alcohols by the titanium peroxy complexes

Author

Meng Cui, Adam, Waldemar, Jian Hua Shen, Xiao Min Luo, Xiao Jian Tan, Kai Xian Chen, Ru Yun Ji, and Hua Liang Jiang

Subjects
Chemistry, Organic -- Research, Density functionals -- Analysis, Epoxy compounds -- Physiological aspects, Alcohols -- Physiological aspects, Titanium -- Physiological aspects, Coordination compounds -- Physiological aspects, Olefins -- Physiological aspects, Biological sciences, Chemistry
Abstract

Research has been conducted on the chiral allylic alcohol epoxidation. The study of this epoxidation has been carried out via the use of the density functional theory method and the role of the metal-alcoholate bonding in the allylic alcohol diastereoselective epoxidation has been investigated.

Published
2002

3. Theoretical insight into the interactions of TMA-benzene and TMA-pyrrole with B3LYP density-functional theory (DFT) and ab initio second order Moller-Plesset perturbation theory (MP2) calculations

Author

Tong Liu, Jiande Gu, Xiao-Jian Tan, Xiao-Min Luo, Ru-Yun Ji, Silman, Israel, Wei-Liang Zhu, Hua-Liang Jiang, Kai-Xian Chen, and Sussman, Joel L.

Subjects
Density functionals -- Analysis, Benzene -- Chemical properties, Chemicals, plastics and rubber industries
Abstract

The interaction properties if tetramethylammonium(TMA) with aromatic compounds such as benzene and pyrrole are theoretically analysed, based on B3LYP density-functional theory (DFT) and ab initio second order Moller-Plesset perturbation theory (MP2) calculations. The TMA-aromatic interactions are mainly due to typical cation-pi interaction and the dispersion interaction.

Published
2001

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