화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Making equation of state models predictive - Part 1: Quantum chemical computation of molecular properties
Singh M, Leonhard K, Lucas K
Fluid Phase Equilibria, 258(1), 16, 2007
2 Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene
Bak KL, Koch H, Oddershede J, Christiansen O, Sauer SPA
Journal of Chemical Physics, 112(9), 4173, 2000
3 Molecular polarizability and atomic properties: Density functional approach
Itskowitz P, Berkowitz ML
Journal of Chemical Physics, 109(23), 10142, 1998
4 Improving virtual Kohn-Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
Tozer DJ, Handy NC
Journal of Chemical Physics, 109(23), 10180, 1998
5 Dipole Polarizabilities of Na and Long-Range Coefficients for Various Molecular-States of Na-2
Merawa M, Rerat M
Journal of Chemical Physics, 106(9), 3658, 1997
6 Calculation of Size-Intensive Transition Moments from the Coupled Cluster Singles and Doubles Linear-Response Function
Koch H, Kobayashi R, Demeras AS, Jorgensen P
Journal of Chemical Physics, 100(6), 4393, 1994
7 Many-Body Theory of Intermolecular Induction Interactions
Moszynski R, Cybulski SM, Chalasinski G
Journal of Chemical Physics, 100(7), 4998, 1994
8 Correlated Dipole Oscillator Sum-Rules
Packer MJ, Sauer SP, Oddershede J
Journal of Chemical Physics, 100(12), 8969, 1994