Computations of intermolecular interacti
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N. Gresh; P. Claverie; A. Pullman
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Article
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1982
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John Wiley and Sons
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English
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## Abstract A procedure is given to derive an explicit chargeβtransfer contribution from the MurrellβRandicβWilliams formula, and to implement it in the framework of an additive procedure for the computation of intermolecular interaction energies, as a sum of electrostatic, repulsion, polarization,