화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Electron-Densities of Homonuclear Diatomic-Molecules as Calculated from Density-Functional Theory
Wang J, Eriksson LA, Johnson BG, Boyd RJ
Journal of Physical Chemistry, 100(13), 5274, 1996
2 Electron-Densities of Several Small Molecules as Calculated from Density-Functional Theory
Wang J, Johnson BG, Boyd RJ, Eriksson LA
Journal of Physical Chemistry, 100(15), 6317, 1996
3 Structure, Energetics, and Force-Fields of the Cyclic Formamide Dimer - Mp2, Hartree-Fock, and Density-Functional Study
Florian J, Johnson BG
Journal of Physical Chemistry, 99(16), 5899, 1995
4 An Implementation of Analytic 2nd Derivatives of the Gradient-Corrected Density-Functional Energy
Johnson BG, Fisch MJ
Journal of Chemical Physics, 100(10), 7429, 1994
5 The Performance of a Family of Density-Functional Methods (Vol 98, Pg 5612, 1993)
Johnson BG
Journal of Chemical Physics, 101(10), 9202, 1994
6 Diazasilene (Sinn) - A Comparative-Study of Electron-Density Distributions Derived from Hartree-Fock, 2nd-Order Moller-Plesset Perturbation-Theory, and Density-Functional Methods
Wang J, Eriksson LA, Boyd RJ, Shi Z, Johnson BG
Journal of Physical Chemistry, 98(7), 1844, 1994
7 Comparison and Scaling of Hartree-Fock and Density-Functional Harmonic Force-Fields .1. Formamide Monomer
Florian J, Johnson BG
Journal of Physical Chemistry, 98(14), 3681, 1994