Literature DB >> 17020249

A possible union of chemical bonding, reactivity, and kinetics.

Pratim Kumar Chattaraj1, Debesh Ranjan Roy.   

Abstract

In this communication, we report for the first time the reactivity behavior at the transition state, the connection between the equireactivity configuration and the activation barrier, and a possible principle of reactivity conservation along the reaction paths of typical thermoneutral and exo (endo) thermic reactions.

Year:  2006        PMID: 17020249     DOI: 10.1021/jp0649293

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  2 in total

1.  A single theoretical descriptor for the bond-dissociation energy of substituted phenols.

Authors:  Carolina Aliaga; Iriux Almodovar; Marcos Caroli Rezende
Journal:  J Mol Model       Date:  2015-01-24       Impact factor: 1.810

Review 2.  Conceptual density functional theory based electronic structure principles.

Authors:  Debdutta Chakraborty; Pratim Kumar Chattaraj
Journal:  Chem Sci       Date:  2021-03-31       Impact factor: 9.825

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.