Intermolecular forces between large molecules
- 1 January 1976
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 31 (1) , 159-176
- https://doi.org/10.1080/00268977600100121
Abstract
The long-range interaction between large molecules with localized electrons is written as the sum of individual interactions between localized charge distributions. Using minimal basis set ab initio Hartree-Fock wavefunctions the parameters needed to compute these interactions are obtained for water, methane and ethane. Interactions between pairs of these molecules are computed for various orientations to demonstrate the complex orientational dependence and the relative magnitudes of the various terms.Keywords
This publication has 15 references indexed in Scilit:
- Bond contributions to molecular refractive indices and Verdet constantsMolecular Physics, 1976
- Localized charge distributions. I. General theory, energy partitioning, and the internal rotation barrier in ethaneJournal of the American Chemical Society, 1971
- Localized Orbitals for Polyatomic Molecules. I. The Transferability of the C–H Bond in Saturated MoleculesThe Journal of Chemical Physics, 1969
- Permanent and Induced Molecular Moments and Long‐Range Intermolecular ForcesAdvances in Chemical Physics, 1967
- Methods for the Determination of Intermolecular ForcesAdvances in Chemical Physics, 1967
- Localized Atomic and Molecular OrbitalsReviews of Modern Physics, 1963
- The forces between polyatomic molecules I. Long-range forcesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1961
- Interactions between permanent multipole momentsPhysica, 1957
- The Representation of Long Range Forces by Series Expansions I: The Divergence of the Series II: The Complete Perturbation Calculation of Long Range ForcesProceedings of the Physical Society. Section A, 1956
- The dipole moment of the C—H bondTransactions of the Faraday Society, 1942