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Intermolecular electrical response
- 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.
- Subjects :
- Chemistry
Transferability
Intermolecular force
Cooperativity
Condensed Matter Physics
Biochemistry
Ab initio quantum chemistry methods
Chemical physics
Computational chemistry
Intermolecular interaction
Phase (matter)
Electrical interaction
Cluster (physics)
Physical and Theoretical Chemistry
Subjects
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