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Lennard–Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential

Type: Journal Paper

Author : Marek Freindorf; Yihan Shao; Thomas R. Furlani; Jing Kong

Publisher: John Wiley and Sons

Year: 2005

Controlling the Cleavage of Carbon–Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes

Type: Journal Paper

Author : Hari R. Khatri; Changho Han; Erica Luong; Xiaoliang Pan; Amna T. Adam; Maali D. Alshammari; Yihan Shao; David A. Colby

Year: 2019

Multiple Environment Single System Quantum Mechanical/Molecular Mechanical (MESS-QM/MM) Calculations. 1. Estimation of Polarization Energies

Type: Journal Paper

Author : Alexander J. Sodt; Ye Mei; Gerhard König; Peng Tao; Ryan P. Steele; Bernard R. Brooks; Yihan Shao

Year: 2014

Author

Yihan Shao (3)

Alexander J. Sodt (1)

Amna T. Adam (1)

Bernard R. Brooks (1)

Changho Han (1)

David A. Colby (1)

Erica Luong (1)

Gerhard König (1)

Hari R. Khatri (1)

Jing Kong (1)

Publisher

John Wiley and Sons (1)

Year

2019 (1)

2014 (1)

2005 (1)

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Journal Paper (3)

Language (ISO)

English (3)

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Fulltext (3)

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Journal of Computational Chemistry (1)

The Journal of Physical Chemistry A (1)

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