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, 25.0 (4). pp. 2007-2011. ISSN 0970-7077
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Official URL: http://dx.doi.org/10.14233/ajchem.2013.13273
Abstract
Quantum mechanical solvation analysis account for electric and electro static components of solvation by microscopic surface tension. The polarizable continuum solvation model (PSCM) is extended to the compounds of haloglycine. The free energy of solvation of the compounds is discussed. The effects of dispersion energy, repulsion energy are calculated. The dipole moments and cavities are calculated and discussed.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Haloglycine, Solvation analysis, Repulsion energy, Dipole moments |
| Subjects: | Chemistry > Chemistry Multi-Disciplinary Studies > Multidisciplinary |
| Divisions: | Engineering and Technology > Aarupadai Veedu Institute of Technology, Chennai, India > Physics |
| Depositing User: | Unnamed user with email techsupport@mosys.org |
| Last Modified: | 06 Feb 2026 07:12 |
| URI: | https://ir.vmrfdu.edu.in/id/eprint/6944 |
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