Ying Wang

发表

Revised M06-L functional for improved accuracy on chemical reaction barrier heights, noncovalent interactions, and solid-state physics

Haoyu S. Yu, D. Truhlar, Xiao He, 2017, Proceedings of the National Academy of Sciences.

Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties.

Xiao He, Donald G Truhlar, Ying Wang, 2019, The journal of physical chemistry. A.

Atmospheric Kinetics: Bimolecular Reactions of Carbonyl Oxide by a Triple-Level Strategy.

D. Truhlar, Ying Wang, J. Bao, 2021, Journal of the American Chemical Society.

Computational search for aflatoxin binding proteins

J. H. Zhang, Xiao He, Ying Wang, 2017 .

Ordered mesoporous carbon loaded with NiCo2O4 as an electrocatalyst for electrocarboxylation of benzophenone

Jia‐Xing Lu, Huan Wang, Ying Wang, 2021 .

Supervised learning of a chemistry functional with damped dispersion

D. Truhlar, Ying Wang, Yiwei Liu, 2022, Nature Computational Science.

Performance of Screened-Exchange Functionals for Band Gaps and Lattice Constants of Crystals.

D. Truhlar, Pragya Verma, Ying Wang, 2022, Journal of chemical theory and computation.

Revised M06 density functional for main-group and transition-metal chemistry

D. Truhlar, Pragya Verma, Ying Wang, 2018, Proceedings of the National Academy of Sciences.

Glucose-Lipopeptide Conjugates Reveal the Role of Glucose Modification Position in Complexation and the Potential of Malignant Melanoma Therapy.

Youlin Zeng, Ying Wang, S. Liang, 2021, Journal of medicinal chemistry.

Discovering inhibitors of TEAD palmitate binding pocket through virtual screening and molecular dynamics simulation

Ying Wang, Yimin Li, Zhong Liu, 2022, Comput. Biol. Chem..

Binding mode of chitin and TLR2 via molecular docking and dynamics simulation

Liqun He, Ying Wang, P. Shen, 2016 .

Multiconfiguration Pair-Density Functional Theory Is Free From Delocalization Error.

Ying Wang, Donald G. Truhlar, Xiao He, 2017, The journal of physical chemistry letters.

M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical Applications.

Benjamin G. Janesko, M. Frisch, D. Truhlar, 2019, Journal of chemical theory and computation.

M06-SX screened-exchange density functional for chemistry and solid-state physics

D. Truhlar, Pragya Verma, Ying Wang, 2020, Proceedings of the National Academy of Sciences of the United States of America.

Comprehensive Theoretical Study on Four Typical Intramolecular Hydrogen Shift Reactions of Peroxy Radicals: Multireference Character, Recommended Model Chemistry, and Kinetics.

Xuefei Xu, Ying Wang, R. Zhang, 2023, Journal of chemical theory and computation.

GridMol2 .0: Implementation and application of linear‐scale quantum mechanics methods and molecular visualization

Ying Wang, Xiao He, Zhong Jin, 2020 .

Predicted PAR1 inhibitors from multiple computational methods

J. H. Zhang, Tong Zhu, Xiao He, 2016 .

How Well Can the M06 Suite of Functionals Describe the Electron Densities of Ne, Ne6+, and Ne8+?

D. Truhlar, Ying Wang, Xianwei Wang, 2017, Journal of chemical theory and computation.