화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Modified Becke'05 method of nondynamic correlation in density functional theory with self-consistent implementation
Proynov E, Liu F, Kong J
Chemical Physics Letters, 525-26, 150, 2012
2 Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method
Proynov E, Shao YH, Kong J
Chemical Physics Letters, 493(4-6), 381, 2010
3 Analytical representation of the Becke-Roussel exchange functional
Proynov E, Gan Z, Kong J
Chemical Physics Letters, 455(1-3), 103, 2008
4 New tau-dependent correlation functional combined with a modified Becke exchange
Proynov E, Chermette H, Salahub DR
Journal of Chemical Physics, 113(22), 10013, 2000
5 Density functional study of the NO dimer using GGA and LAP functionals
Duarte HA, Proynov E, Salahub DR
Journal of Chemical Physics, 109(1), 26, 1998
6 Spin-Densities and Polymerizabilities of Aniline Derivatives Deduced from Density-Functional Calculations
Daprano G, Proynov E, Leboeuf M, Leclerc M, Salahub DR
Journal of the American Chemical Society, 118(40), 9736, 1996