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Intermolecular electrical response

Authors :
Clifford E. Dykstra
Source :
Journal of Molecular Structure: THEOCHEM. 573:63-71
Publication Year :
2001
Publisher :
Elsevier BV, 2001.

Abstract

The understanding of intermolecular electrical response is considered from the standpoint of both interaction energetics and property changes and from evaluation by ab initio calculations and by modeling. The objective of such understanding is to use property changes as better and better probes of behavior associated with intermolecular interaction and to design the most effective potential models for simulation of large molecular aggregations. The inherent transferability of electrical properties and the cooperativity of the complete electrical interaction is advantageous in connecting small cluster behavior with condensed phase behavior.

Details

ISSN :
01661280
Volume :
573
Database :
OpenAIRE
Journal :
Journal of Molecular Structure: THEOCHEM
Accession number :
edsair.doi...........687f6c4bbcd2540b2b7a9726189e80f9
Full Text :
https://doi.org/10.1016/s0166-1280(01)00544-9