Scholarly Works

Modelling Chemical Reactions with Computers

Modelling Chemical Reactions with Computers

Abstract

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

Authors

Liu Y; 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)

34 Chemical Sciences 3406 Physical Chemistry 3407 Theoretical and Computational Chemistry

Sustainable Development Goals (SDG)

7 Affordable and Clean Energy

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