Weitao Yang

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Paula Mori-SanchezUniversidad Autónoma de MadridE-mail confirmado em uam.es
Aron CohenMax Planck Institute for Solid State ResearchE-mail confirmado em fkf.mpg.de
Harold U BarangerDuke UniversityE-mail confirmado em phy.duke.edu
David N. BeratanR.J. Reynolds Professor, Department of Chemistry, Duke UniversityE-mail confirmado em duke.edu
Julia Contreras-GarcíaCNRS & Sorbonne UniversitéE-mail confirmado em lct.jussieu.fr
Shahar KeinanCEO, Polaris Quantum BiotechE-mail confirmado em polarisqb.com
Erin R JohnsonHerzberg-Becke Chair in Theoretical Chemistry, Dalhousie UniversityE-mail confirmado em dal.ca
Lee BartolottiProfessor of Chemistry, East Carolina UniversityE-mail confirmado em ecu.edu
Yingkai ZhangProfessor of Chemistry, New York UniversityE-mail confirmado em nyu.edu
Darrin M. YorkHenry Rutgers University Professor, Rutgers UniversityE-mail confirmado em rutgers.edu
Taisung LeeRutgers UniversityE-mail confirmado em rutgers.edu
Neil Qiang Su (苏乃强)Nankai UniversityE-mail confirmado em nankai.edu.cn
Qin WuChemist, Center for Functional Nanomaterials, Brookhaven National LaboratoryE-mail confirmado em bnl.gov
Du ZhangTokyo Electron LimitedE-mail confirmado em us.tel.com
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityE-mail confirmado em chemistry.mcmaster.ca
Yang YangAssistant Professor at UW-MadisonE-mail confirmado em wisc.edu
Piotr E MarszalekDuke UniversityE-mail confirmado em duke.edu
Robin ChaudretSchrödingerE-mail confirmado em schrodinger.com
Xiao ZhengFudan UniversityE-mail confirmado em ustc.edu.cn
Xiancheng ZengPostdoctoral Fellow, University of MichiganE-mail confirmado em umich.edu

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Weitao Yang

Philip Handler Professor, Department of Chemistry, Duke University

E-mail confirmado em duke.edu - Página inicial

theoretical chemistry density functional theory computational chemistry biophysics physical chemistry


Título Ordenar por citações Ordenar por ano Ordenar por título	Citado por Citado por	Ano
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density C Lee, W Yang, RG Parr Physical review B 37 (2), 785, 1988	109557	1988
Density Functional Theory of Atoms and Molecules RG Parr, W Yang	27474*
Revealing noncovalent interactions ER Johnson, S Keinan, P Mori-Sánchez, J Contreras-García, AJ Cohen, ... Journal of the American Chemical Society 132 (18), 6498-6506, 2010	7608	2010
Density functional approach to the frontier-electron theory of chemical reactivity RG Parr, W Yang Journal of the American Chemical Society 106 (14), 4049-4050, 1984	3766	1984
NCIPLOT: a program for plotting noncovalent interaction regions J Contreras-García, ER Johnson, S Keinan, R Chaudret, JP Piquemal, ... Journal of chemical theory and computation 7 (3), 625-632, 2011	3443	2011
Comment on “Generalized gradient approximation made simple” Y Zhang, W Yang Physical Review Letters 80 (4), 890, 1998	3307	1998
Insights into current limitations of density functional theory AJ Cohen, P Mori-Sánchez, W Yang Science 321 (5890), 792-794, 2008	2821	2008
Challenges for density functional theory AJ Cohen, P Mori-Sánchez, W Yang Chemical reviews 112 (1), 289-320, 2012	2745	2012
The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines W Yang, WJ Mortier Journal of the American Chemical Society 108 (19), 5708-5711, 1986	2070	1986
Hardness, softness, and the fukui function in the electronic theory of metals and catalysis W Yang, RG Parr Proceedings of the National Academy of Sciences 82 (20), 6723-6726, 1985	2015	1985
Localization and delocalization errors in density functional theory and implications for band-gap prediction P Mori-Sánchez, AJ Cohen, W Yang Physical review letters 100 (14), 146401, 2008	1372	2008
Density-functional theory of the electronic structure of molecules RG Parr, W Yang Annual Review of Physical Chemistry 46 (1), 701-728, 1995	1227	1995
Direct calculation of electron density in density-functional theory W Yang Physical Review Letters 66 (11), 1438, 1991	1220	1991
Custom Search 2 DM York, TS Lee, GM Giambasu, A Moser, K Nam, C Silva-Lopez, ... ACS Symposium Series 712, 275-287, 1998	1176*	1998
Empirical correction to density functional theory for van der Waals interactions Q Wu, W Yang The Journal of chemical physics 116 (2), 515-524, 2002	1020	2002
Many-electron self-interaction error in approximate density functionals P Mori-Sánchez, AJ Cohen, W Yang The Journal of chemical physics 125 (20), 201102, 2006	852	2006
All The Catalytic Active Sites of MoS₂ for Hydrogen Evolution G Li, D Zhang, Q Qiao, Y Yu, D Peterson, A Zafar, R Kumar, S Curtarolo, ... Journal of the American Chemical Society 138 (51), 16632-16638, 2016	792	2016
Layer-Dependent Electrocatalysis of MoS2 for Hydrogen Evolution Y Yu, SY Huang, Y Li, SN Steinmann, W Yang, L Cao Nano letters 14 (2), 553-558, 2014	788	2014
A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons Y Zhang, W Yang The Journal of chemical physics 109 (7), 2604-2608, 1998	681	1998
Fractional charge perspective on the band gap in density-functional theory AJ Cohen, P Mori-Sánchez, W Yang Physical Review B 77 (11), 115123, 2008	675	2008

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