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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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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