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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |