SCRF calculation of the effect of hydration on the topology of the molecular electrostatic potential

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Bibliographic Details
Published in:Journal of physical chemistry (1952) 1993-09, Vol.97 (37), p.9380-9384
Main Authors: LUQUE, F. J, OROZCO, M, BHADANE, P. K, GADRE, S. R
Format: Article
Language:English
Subjects:
Ab initio calculations
Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Chemistry
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
General and physical chemistry
Physics
Solutions
Solvation. Solvent properties
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ISSN:0022-3654
1541-5740
DOI:10.1021/j100139a021