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Density functionals : thermochemistry

Author: Erin R Johnson; A D Becke
Publisher: Cham : Springer, [2015]
Series: Topics in current chemistry, 365.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:
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  Read more...
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Additional Physical Format: Printed edition:
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Erin R Johnson; A D Becke
ISBN: 9783319196923 3319196928
OCLC Number: 910217524
Description: 1 online resource (vii, 189 pages) : color illustrations.
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.
Series Title: Topics in current chemistry, 365.
Responsibility: Erin R. Johnson, editor ; with contributions by A.D. Becke ... [and more].

Abstract:

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research.  Read more...

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