Solubility Studies of Haloglycine by Quantum Mechanical Method

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Krishnan, S. Sampath and Balamurugan, N. and Kumutha, R. and Mahalakshmi, S. (2013) Solubility Studies of Haloglycine by Quantum Mechanical Method. Asian Journal of Chemistry, 25 (4). pp. 2007-2011. ISSN 09707077

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Abstract

Quantum mechanical solvation analysis accounts for electric and electrostatic components of solvation using microscopic surface tension. The polarizable continuum solvation model (PSCM) is extended to haloglycine compounds. Free energy of solvation, effects of dispersion and repulsion energies, dipole moments, and cavities are calculated and discussed. © 2021 Elsevier B.V., All rights reserved.

Item Type: Article
Subjects: Chemistry > Physical and Theoretical Chemistry
Divisions: Arts and Science > School of Arts and Science, Chennai > Physics
Depositing User: Unnamed user with email techsupport@mosys.org
Last Modified: 10 Dec 2025 06:54
URI: https://vmuir.mosys.org/id/eprint/4226

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