화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Long-range, collision-induced dipoles of T-d-D-infinity h molecule pairs : Theory and numerical results for CH4 or CF4 interacting with H-2, N-2, CO2, or CS2
Li X, Champagne MH, Hunt KLC
Journal of Chemical Physics, 109(19), 8416, 1998
2 Correlated, static and dynamic polarizabilities of small molecules. Comparison of four "black box" methods
Dalskov EK, Sauer SPA
Journal of Physical Chemistry A, 102(27), 5269, 1998
3 Density-Functional Results for Isotropic and Anisotropic Multipole Polarizabilities and C-6, C-7, and C-8 Van-der-Waals Dispersion Coefficients for Molecules
Osinga VP, Vangisbergen SJ, Snijders JG, Baerends EJ
Journal of Chemical Physics, 106(12), 5091, 1997
4 Improved Density-Functional Theory Results for Frequency-Dependent Polarizabilities, by the Use of an Exchange-Correlation Potential with Correct Asymptotic-Behavior
Vangisbergen SJ, Osinga VP, Gritsenko OV, Vanleeuwen R, Snijders JG, Baerends EJ
Journal of Chemical Physics, 105(8), 3142, 1996
5 Nonadditive, 3-Body Dipoles and Forces on Nuclei - New Interrelations and an Electrostatic Interpretation
Li X, Hunt KL
Journal of Chemical Physics, 105(10), 4076, 1996
6 Tdmp2 Calculation of Dynamic Multipole Polarizabilities and Dispersion Coefficients of the Triple-Bonded Molecules Co, N-2, CN-, and No+
Hattig C, Hess BA
Journal of Chemical Physics, 105(22), 9948, 1996
7 Dynamic Multipole Polarizabilities of the Rare-Gas Atoms Ne, Ar, and Kr and Long-Range Interaction Coefficients of the Rare-Gas Atoms and with H-2
Spelsberg D, Meyer W
Journal of Physical Chemistry, 100(35), 14637, 1996
8 Potential Functions for Carbon Dioxide-Hydrogen Halide and Hydrogen Halide Dimer Van-der-Waals Complexes
Muenter JS
Journal of Chemical Physics, 103(4), 1263, 1995
9 A Density-Functional Theory Study of Frequency-Dependent Polarizabilities and Van-der-Waals Dispersion Coefficients for Polyatomic-Molecules
Vangisbergen SJ, Snijders JG, Baerends EJ
Journal of Chemical Physics, 103(21), 9347, 1995