Verwandte Artikel zu Density Functional Theory Calculations

Density Functional Theory Calculations - Hardcover

 
9781838810825: Density Functional Theory Calculations
Hardcover
ISBN 10: 183881082X ISBN 13: 9781838810825
Verlag: IntechOpen, 2021

Inhaltsangabe

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.

Die Inhaltsangabe kann sich auf eine andere Ausgabe dieses Titels beziehen.

Verlag
IntechOpen
Erscheinungsdatum
2021
Sprache
Englisch
ISBN 10 
183881082X
ISBN 13 
9781838810825
Einband
Gebundene Ausgabe
Anzahl der Seiten
118
Herausgeber
Lazaro Sergio Ricardo De, Lacerda Luis Henrique Da Silveira, Ribeiro Renan Augusto Pontes
Kontakt zum Hersteller
preigu GmbH & Co. KG
mail@preigu.de

Lengericher Landstr. 19
Osnabrück
Niedersachsen
49078
Deutschland