Density Functionals: Thermochemistry

Author:   Erin R. Johnson
Publisher:   Springer International Publishing AG
Edition:   Softcover reprint of the original 1st ed. 2015
Volume:   365
ISBN:  

9783319378978


Pages:   189
Publication Date:   17 October 2016
Format:   Paperback
Availability:   Manufactured on demand   Availability explained
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Density Functionals: Thermochemistry


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Overview

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.

Full Product Details

Author:   Erin R. Johnson
Publisher:   Springer International Publishing AG
Imprint:   Springer International Publishing AG
Edition:   Softcover reprint of the original 1st ed. 2015
Volume:   365
Dimensions:   Width: 15.50cm , Height: 1.10cm , Length: 23.50cm
Weight:   0.454kg
ISBN:  

9783319378978


ISBN 10:   331937897
Pages:   189
Publication Date:   17 October 2016
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand   Availability explained
We will order this item for you from a manufactured on demand supplier.

Table of Contents

Real-space correlation models.- Functional development, RPA, dispersion.- Range-separated functionals.- Non-local functionals for surface chemistry.- Combining DFT and wave function methods.- Homodesmotic reactions, substituent effects.- Dispersion interactions.- Local-hybrid functionals.- Isodesmic reactions, strain, conjugation.- Partition density functional theory Fractional charges and spins.

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