Theoretical investigation of reaction kinetics and thermodynamics of the keto-enol tautomerism of 1, 3, 5-triazin-2, 4(1H, 3H)-dione and its substituted systems utilizing density functional theory and transition state theory methods-Reference-Cited by-同舟云学术

Theoretical investigation of reaction kinetics and thermodynamics of the keto-enol tautomerism of 1, 3, 5-triazin-2, 4(1H, 3H)-dione and its substituted systems utilizing density functional theory and transition state theory methods

Published:2018-10 Issue: Volume:1141 Page:15-40
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Singh Pebam Munindro,Chakravarty Harish Kumar,Jain Sandeep Kumar,Pathak Amit,Singh Moirangthem Kiran,Arunan Elangannan^ORCID

Funder

Indian Space Research Organisation (ISRO)

Department of Science and Technology-Extramural Research

The Japan Society for the Promotion of Science

Indian Academy of Sciences

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

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