Bo Wang

发表

Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes.

Shaohong L Li, D. Truhlar, Bo Wang, 2014, Journal of chemical theory and computation.

Combined Quantum Mechanical and Molecular Mechanical Methods for Calculating Potential Energy Surfaces: Tuned and Balanced Redistributed-Charge Algorithm.

D. Truhlar, Bo Wang, 2010, Journal of chemical theory and computation.

Geometry optimization using tuned and balanced redistributed charge schemes for combined quantum mechanical and molecular mechanical calculations.

D. Truhlar, Bo Wang, 2011, Physical chemistry chemical physics : PCCP.

Tuned and Balanced Redistributed Charge Scheme for Combined Quantum Mechanical and Molecular Mechanical (QM/MM) Methods and Fragment Methods: Tuning Based on the CM5 Charge Model.

D. Truhlar, Bo Wang, 2013, Journal of chemical theory and computation.

Screened Electrostatic Interactions in Molecular Mechanics.

D. Truhlar, Bo Wang, 2014, Journal of chemical theory and computation.

Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates.

Hannah R. Leverentz, D. Truhlar, Xuefei Xu, 2014, Accounts of chemical research.

Partial Atomic Charges and Screened Charge Models of the Electrostatic Potential.

D. Truhlar, Bo Wang, 2012, Journal of chemical theory and computation.

Including Charge Penetration Effects in Molecular Modeling.

Donald G Truhlar, Bo Wang, D. Truhlar, 2010, Journal of chemical theory and computation.

Computational Electrochemistry. Voltages of Lithium-Ion Battery Cathodes.

D. Truhlar, Bo Wang, Sijie Luo, 2016, The journal of physical chemistry. B.

Conduction and Surface Effects in Cathode Materials: Li8ZrO6 and Doped Li8ZrO6

A. Stein, D. Truhlar, Yuan Fang, 2016 .

Physical Molecular Mechanics Method for Damped Dispersion.

D. Truhlar, Bo Wang, Pragya Verma, 2017, The journal of physical chemistry. A.

Y-doped Li8ZrO6: A Li-Ion Battery Cathode Material with High Capacity.

A. Stein, D. Truhlar, Yuan Fang, 2015, Journal of the American Chemical Society.

Electrostatically Embedded Molecular Tailoring Approach and Validation for Peptides.

Donald G Truhlar, Bo Wang, D. Truhlar, 2013, Journal of chemical theory and computation.

Geometry optimization using tuned and balanced redistributed charge schemes for combined quantum mechanical and molecular mechanical calculations.

D. Truhlar, Bo Wang, 2011, Physical chemistry chemical physics : PCCP.