Chapter
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