Scholarly Works

Failures of Embedded Cluster Models for pKa Shifts...

Failures of Embedded Cluster Models for pKa Shifts Dominated by Electrostatic Effects

Abstract

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed.

Authors

Mohammed AAK; Burger SK; Ayers P

Book title

Conceptual Density Functional Theory and Its Application in the Chemical Domain

Publisher

CRC Press

Publication Date

June 13, 2018

ISBN-10

1351360248

ISBN-13

9781351360241

Associated Experts

Paul Ayers

Professor, Faculty of Science

Labels

Fields of Research (FoR)

3101 Biochemistry and Cell Biology 3102 Bioinformatics and Computational Biology 31 Biological Sciences 34 Chemical Sciences 3407 Theoretical and Computational Chemistry

Contact the Experts team

Get technical help

or

Provide website feedback