Study of Solvation of Fluoride and Chloride Ions in Water: A Theoretical Approach
Journal Title: Bulletin of Pure and Applied Sciences Sec. C – Chemistry - Year 2018, Vol 37, Issue 2
Abstract
Theoretical methods have been utilized to study the solvation of fluoride and chloride ions by water. The number of water molecules has been varied from one to four. Geometry optimization has been performed using B3LYP level employing two different basis sets, 6-311G++ and LanL2DZ and also HF method with 6-311G++ basis set. The results have been compared
Authors and Affiliations
Sumana Sarkar
Keywords
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- EP ID EP526626
- DOI 10.5958/2320-320X.2018.00026.2
- Views 116
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