Density Functional Theory Calculations

Language: English

Published by Intechopen Feb 2021, 2021

183881082X / 9781838810825

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This item is printed on demand - Print on Demand Titel. Neuware -This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of the last few years. Since 2000, the DFT has grown exponentially in several computational areas because of its versatility and reliability to calculate energy from electronic density. The fast DFT¿s calculations show how scientists develop more codes focused to simulate molecular and material properties reaching better conclusions than with previous theories. More powerful computers and lower computational costs have certainly assisted the increased growth of interest in this theory. Each chapter presents a specific subject contributing to a vision of the great potential of the quantum/DFT simulations in high pressure, chemical reactivity, ionic liquid, chemoinformatic, molecular docking, and non-equilibrium state.Books on Demand GmbH, Überseering 33, 22297 Hamburg 118 pp. Englisch.

Seller Inventory # 9781838810825

Title
Density Functional Theory Calculations
Author
Sergio Ricardo de Lazaro
Publisher
Intechopen Feb 2021
Publication year
2021
Condition
Neu
Binding
Buch
Language
English
ISBN 10
183881082X
ISBN 13
9781838810825
Item weight
477 grams
Dimensions
266x185x13 mm

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

5-star seller

AbeBooks seller since January 23, 2017

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Impressum Thorsten Retsch Buchversand Mimpf2000 Oberölschnitz 16 95517 Emtmannsberg Deutschland Telefon: 09209-2023188 Email: mimpf2000@online.de USt-ID-Nr.: DE 235096871 Wir führen gebrauchte Bücher aus allen Sparten der Literatur

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buchversandmimpf2000

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