Quantum Chemistry and Solid State Physics Software: Density Functional Theory, List of Software for Monte Carlo Molecular Modeling, List of Software for Molecular Mechanics Modeling - Couverture souple

 
9786132865557: Quantum Chemistry and Solid State Physics Software: Density Functional Theory, List of Software for Monte Carlo Molecular Modeling, List of Software for Molecular Mechanics Modeling
Couverture souple
ISBN 10 : 6132865551 ISBN 13 : 9786132865557
Editeur : Alphascript Publishing, 2010

Synopsis

Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs include both open source and commercial software. Most of them are large, often containing several separate programs, and have developed over many years. The following table illustrates the capabilities of the most versatile software packages that show an entry in two or more columns of the table.

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Éditeur
Alphascript Publishing
Date d'édition
2010
Langue
anglais
ISBN 10 
6132865551
ISBN 13 
9786132865557
Reliure
Broché
Nombre de pages
84
Éditeur
Miller Frederic P., Vandome Agnes F., McBrewster John
Coordonnées du fabricant
non disponible
Personne responsable
non disponible