دنبال کردن
Weitao Yang
Weitao Yang
Philip Handler Professor, Department of Chemistry, Duke University
ایمیل تأیید شده در duke.edu - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
1114881988
Density Functional Theory of Atoms and Molecules‏
RG Parr, W Yang‏
27827*
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
80222010
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
38711984
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
36062011
Comment on “Generalized gradient approximation made simple”‏
Y Zhang, W Yang‏
Physical Review Letters 80 (4), 890, 1998‏
33801998
Insights into current limitations of density functional theory‏
AJ Cohen, P Mori-Sánchez, W Yang‏
Science 321 (5890), 792-794, 2008‏
28842008
Challenges for density functional theory‏
AJ Cohen, P Mori-Sánchez, W Yang‏
Chemical reviews 112 (1), 289-320, 2012‏
28322012
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
21061986
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
20731985
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
14062008
Density-functional theory of the electronic structure of molecules‏
RG Parr, W Yang‏
Annual Review of Physical Chemistry 46 (1), 701-728, 1995‏
12621995
Direct calculation of electron density in density-functional theory‏
W Yang‏
Physical Review Letters 66 (11), 1438, 1991‏
12291991
Custom Search 2‏
DM York, TS Lee, GM Giambasu, A Moser, K Nam, C Silva-Lopez, ...‏
ACS Symposium Series 712, 275-287, 1998‏
1198*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
10402002
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
8742006
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
8152016
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
8032014
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
6912008
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
6881998
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20