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Density Functional Calculations - Recent Progresses of Theory and Application - Hardcover

 
9781789231328: Density Functional Calculations - Recent Progresses of Theory and Application
Hardcover
ISBN 10: 1789231329 ISBN 13: 9781789231328
Verlag: IntechOpen, 2018

Inhaltsangabe

Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as chemistry, physics, material, biology, and pharmacy. DFT has long been used to complement experimental investigations, while now it is also regarded as an indispensable and powerful tool for researchers of different fields. This book is divided into five sections that include original chapters written by experts in their fields: "Method Development and Validation," "Spectra and Thermodynamics," "Catalysis and Mechanism," "Material and Molecular Design," and "Multidisciplinary Integration." I would like to express my sincere gratitude to all contributors and recommend this book to both beginners and experienced researchers.

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Verlag
IntechOpen
Erscheinungsdatum
2018
Sprache
Englisch
ISBN 10 
1789231329
ISBN 13 
9781789231328
Einband
Gebundene Ausgabe
Anzahl der Seiten
272
Herausgeber
Yang Gang
Kontakt zum Hersteller
preigu GmbH & Co. KG
mail@preigu.de

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