Classic papers
TitleAuthorCited by
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
S Grimme - Journal of computational chemistry, 2006
No profile
9745
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions
Y Zhao, NE Schultz, DG Truhlar - Journal of Chemical Theory and …, 2006
Yan ZhaoYan Zhao
2314
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
Y Zhao, DG Truhlar - The Journal of chemical physics, 2006
Yan ZhaoYan Zhao
2312
Automatic atom type and bond type perception in molecular mechanical calculations
J Wang, W Wang, PA Kollman… - Journal of molecular …, 2006
Junmei WangJunmei Wang
1605
Semiempirical hybrid density functional with perturbative second-order correlation
S Grimme - The Journal of chemical physics, 2006
No profile
1524
Influence of the exchange screening parameter on the performance of screened hybrid functionals
AV Krukau, OA Vydrov, AF Izmaylov… - The Journal of chemical …, 2006
Gustavo E. ScuseriaGustavo E. Scuseria
1400
MolDock: a new technique for high-accuracy molecular docking
R Thomsen, MH Christensen - Journal of medicinal chemistry, 2006
No profiles
1077
Assessment of a long-range corrected hybrid functional
OA Vydrov, GE Scuseria - The Journal of chemical physics, 2006
Oleg VydrovOleg Vydrov
1049
Screened hybrid density functionals applied to solids
J Paier, M Marsman, K Hummer, G Kresse… - The Journal of …, 2006
János G. ÁngyánJános G. Ángyán
1031
Density functional for spectroscopy: no long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states
Y Zhao, DG Truhlar - The Journal of Physical Chemistry A, 2006
Yan ZhaoYan Zhao
766
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