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Density functionals : thermochemistry

Becke, A. D.

Density functionals : thermochemistry

紀錄類型:	書目-語言資料,印刷品 : 單行本
副題名:	thermochemistry
其他作者:	BeckeA. D.,
其他作者:	JohnsonErin R.,
出版地:	Cham
出版者:	Springer;
出版年:	2015.
面頁冊數:	vii, 189 p.col. ill. : 24 cm.;
集叢名:	Topics in current chemistry365
標題:	Density functionals. -
標題:	Thermochemistry. -
標題:	Electronic books. -
摘要註:	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 researchis 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 illustratethe 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 readerto understand the information presented. Contributions also offeran outlook on potential future developments in the field.
ISBN:	9783319378978
內容註:	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.

Density functionals : thermochemistry
Density functionals : thermochemistry / Erin R. Johnson, editor ; with contributions by A.D. Becke .. [et al.]. - Cham : Springer, 2015.. - vii, 189 p. ; col. ill. ; 24 cm.. - (Topics in current chemistry ; 365).
Real-space correlation models.
Includes bibliographical references and index..
ISBN 9783319378978ISBN 9783319196923ISBN 3319196928ISBN 331937897X
Density functionals.Thermochemistry.Electronic books.

Becke, A. D.

Density functionals : thermochemistry
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