화학공학소재연구정보센터
검색결과 : 19건
No. Article
1 Potential-Induced High-Conductance Transport Pathways through Single-Molecule Junctions
Yasini P, Afsari S, Peng HW, Pikma P, Perdew JP, Borguet E
Journal of the American Chemical Society, 141(25), 10109, 2019
2 Cobalt Intercalated Layered NiFe Double Hydroxides for the Oxygen Evolution Reaction
Thenuwara AC, Attanayake NH, Yu J, Perdew JP, Elzinga EJ, Yan QM, Strongin DR
Journal of Physical Chemistry B, 122(2), 847, 2018
3 Density functional theory is straying from the path toward the exact functional
Medvedev MG, Bushmarinov IS, Sun JW, Perdew JP, Lyssenko KA
Science, 355(6320), 49, 2017
4 Response to Comment on "Density functional theory is straying from the path toward the exact functional"
Medvedev MG, Bushmarinov IS, Sun JW, Perdew JP, Lyssenko KA
Science, 356(6337), 2017
5 Estimation, computation, and experimental correction of molecular zero-point vibrational energies
Csonka GI, Ruzsinszky A, Perdew JP
Journal of Physical Chemistry A, 109(30), 6779, 2005
6 Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules
Ruzsinszky A, Perdew JP, Csonka GI
Journal of Physical Chemistry A, 109(48), 11006, 2005
7 Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics
Ruzsinszky A, Perdew JP, Csonka GI
Journal of Physical Chemistry A, 109(48), 11015, 2005
8 Proper Gaussian basis sets for density functional studies of water dimers and trimers
Csonka GI, Ruzsinszky A, Perdew JP
Journal of Physical Chemistry B, 109(46), 21471, 2005
9 Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional
Perdew JP, Tao JM, Staroverov VN, Scuseria GE
Journal of Chemical Physics, 120(15), 6898, 2004
10 "Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes" (vol 119, pg 12129, 2003)
Staroverov VN, Scuseria GE, Tao JM, Perdew JP
Journal of Chemical Physics, 121(22), 11507, 2004