Weitao Yang

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Soavtorji

Paula Mori-SanchezUniversidad Autónoma de MadridPreverjeni e-poštni naslov na uam.es
Aron CohenMax Planck Institute for Solid State ResearchPreverjeni e-poštni naslov na fkf.mpg.de
Harold U BarangerDuke UniversityPreverjeni e-poštni naslov na phy.duke.edu
David N. BeratanR.J. Reynolds Professor, Department of Chemistry, Duke UniversityPreverjeni e-poštni naslov na duke.edu
Julia Contreras-GarcíaCNRS & Sorbonne UniversitéPreverjeni e-poštni naslov na lct.jussieu.fr
Shahar KeinanCEO, Polaris Quantum BiotechPreverjeni e-poštni naslov na polarisqb.com
Erin R JohnsonHerzberg-Becke Chair in Theoretical Chemistry, Dalhousie UniversityPreverjeni e-poštni naslov na dal.ca
Yingkai ZhangProfessor of Chemistry, New York UniversityPreverjeni e-poštni naslov na nyu.edu
Darrin M. YorkHenry Rutgers University Professor, Rutgers UniversityPreverjeni e-poštni naslov na rutgers.edu
Taisung LeeRutgers UniversityPreverjeni e-poštni naslov na rutgers.edu
Neil Qiang Su (苏乃强)Nankai UniversityPreverjeni e-poštni naslov na nankai.edu.cn
Qin WuChemist, Center for Functional Nanomaterials, Brookhaven National LaboratoryPreverjeni e-poštni naslov na bnl.gov
Du ZhangTokyo Electron LimitedPreverjeni e-poštni naslov na us.tel.com
Yang YangAssistant Professor at UW-MadisonPreverjeni e-poštni naslov na wisc.edu
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityPreverjeni e-poštni naslov na chemistry.mcmaster.ca
Robin ChaudretSchrödingerPreverjeni e-poštni naslov na schrodinger.com
Piotr E MarszalekDuke UniversityPreverjeni e-poštni naslov na duke.edu
Xiao ZhengFudan UniversityPreverjeni e-poštni naslov na ustc.edu.cn
Xiancheng ZengPostdoctoral Fellow, University of MichiganPreverjeni e-poštni naslov na umich.edu
Zehua ChenResearch Associate at University of Wisconsin MadisonPreverjeni e-poštni naslov na wisc.edu

Spremljaj

Weitao Yang

Philip Handler Professor, Department of Chemistry, Duke University

Preverjeni e-poštni naslov na duke.edu - Domača stran

theoretical chemistry density functional theory computational chemistry biophysics physical chemistry


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
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	112808	1988
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	8097	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	3917	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	3633	2011
Comment on “Generalized gradient approximation made simple” Y Zhang, W Yang Physical Review Letters 80 (4), 890, 1998	3605	1998
Insights into current limitations of density functional theory AJ Cohen, P Mori-Sánchez, W Yang Science 321 (5890), 792-794, 2008	2878	2008
Challenges for density functional theory AJ Cohen, P Mori-Sánchez, W Yang Chemical reviews 112 (1), 289-320, 2012	2841	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	2111	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	2039	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	1409	2008
Density-functional theory of the electronic structure of molecules RG Parr, W Yang Annual Review of Physical Chemistry 46 (1), 701-728, 1995	1278	1995
Direct calculation of electron density in density-functional theory W Yang Physical Review Letters 66 (11), 1438, 1991	1224	1991
Custom Search 2 DM York, TS Lee, GM Giambasu, A Moser, K Nam, C Silva-Lopez, ... ACS Symposium Series 712, 275-287, 1998	1200*	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	1036	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	867	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	826	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	805	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	689	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	686	2008
A density‐matrix divide‐and‐conquer approach for electronic structure calculations of large molecules W Yang, TS Lee The Journal of chemical physics 103 (13), 5674-5678, 1995	652	1995

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