Intermolecular charge transfer in molecular crystals Journal Articles uri icon

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abstract

  • Charge transfer between sets of crystallographically inequivalent molecules within molecular crystals is discussed in the light of SCF perturbation treatment of intermolecular forces. It is shown that intermolecular charge transfer is a second and higher order effect. The theory is illustrated by calculations for the molecular charge distributions for ice II and various distorted formamide structures.

publication date

  • December 15, 1974