Can the solvent enhance the rate of chemical reactions through C–H/π interactions? insights from theory
Author:
Affiliation:
1. Physical and Materials Chemistry Division
2. CSIR-National Chemical Laboratory
3. Pune-411008
4. India
5. Academy of Scientific and Innovative Research (AcSIR)
Abstract
The current computational study with density functional theory (DFT) shows that the explicit presence of C–H/π and π–π interacting solvent molecules is seen to enhance the rate of chemical reactions.
Funder
Department of Science and Technology, Ministry of Science and Technology
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP02646K
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