Advertisement

Density Functionals

Thermochemistry

  • Erin R. Johnson

Part of the Topics in Current Chemistry book series (TOPCURRCHEM, volume 365)

Table of contents

  1. Front Matter
    Pages i-vii
  2. Marc Steinmetz, Andreas Hansen, Stephan Ehrlich, Tobias Risthaus, Stefan Grimme
    Pages 1-23
  3. Abhirup Patra, Bing Xiao, John P. Perdew
    Pages 53-80
  4. Martín A. Mosquera, Adam Wasserman
    Pages 145-174
  5. Back Matter
    Pages 187-189

About this book

Introduction

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science.The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience.Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

Keywords

Functional Development Homodesmotic Reactions Isodesmic Fractional Charges and Spins Local-Hybrid Functionals Non-local Functionals RPA Range-Separated Functionals Substituent Effects Wavefunction Methods

Editors and affiliations

  • Erin R. Johnson
    • 1
  1. 1.Department of ChemistryDalhousie UniversityHalifaxCanada

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-319-19692-3
  • Copyright Information Springer International Publishing Switzerland 2015
  • Publisher Name Springer, Cham
  • eBook Packages Chemistry and Materials Science
  • Print ISBN 978-3-319-19691-6
  • Online ISBN 978-3-319-19692-3
  • Series Print ISSN 0340-1022
  • Series Online ISSN 1436-5049
  • Buy this book on publisher's site
Industry Sectors
Pharma
Chemical Manufacturing
Biotechnology