Solubility studies of halohexanes by a quantum mechanical method

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Sathyanarayanamoorthi, V. and Ponnambalam, U. and Gunasekaran, S. and Kannappan, V. (2006) Solubility studies of halohexanes by a quantum mechanical method. Journal of Molecular Liquids, 129 (3). pp. 181-184. ISSN 01677322

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Abstract

Solvation analysis of halohexanes using Polarizable Continuum Model (PCM). Electrostatic contribution to solvation free energy, dispersion, repulsion, cavities, and dipole moments studied in five solvents of varying dielectric constant. Quantum mechanical self-consistent field results explained properties satisfactorily. © 2006 Elsevier B.V. All rights reserved. © 2009 Elsevier B.V., All rights reserved.

Item Type: Article
Subjects: Chemistry > Physical and Theoretical Chemistry
Chemistry > Spectroscopy
Material Science > Materials Chemistry
Physics and Astronomy > Atomic and Molecular Physics
Physics and Astronomy > Condensed Matter Physics
Physics and Astronomy > Optics
Divisions: Pharmacy > Vinayaka Mission’s College of Pharmacy, Salem > Pharmacy
Pharmacy > Vinayaka Mission’s College of Pharmacy, Salem > Pharmaceutics
Pharmacy > Vinayaka Mission’s College of Pharmacy, Salem > Pharmacology
Depositing User: Unnamed user with email techsupport@mosys.org
Date Deposited: 24 Dec 2025 07:04
Last Modified: 24 Dec 2025 07:05
URI: https://ir.vmrfdu.edu.in/id/eprint/4432

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