Problem Solving in Computational Molecular Science: Molecules in Different Environments: 500 (Nato Science Series C:) - Tapa blanda

 
9789401065061: Problem Solving in Computational Molecular Science: Molecules in Different Environments: 500 (Nato Science Series C:)
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ISBN 10: 9401065063 ISBN 13: 9789401065061
Editorial: Springer, 2011

Sinopsis

For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as `standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them.
This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained.

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Reseña del editor

For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as `standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them.
This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained.

"Sobre este título" puede pertenecer a otra edición de este libro.

Editorial
Springer
Año de publicación
2011
Idioma
Inglés
ISBN 10 
9401065063
ISBN 13 
9789401065061
Encuadernación
Tapa blanda
Número de páginas
432
Editor
Wilson Stephen, Diercksen Geerd H.F.
Contacto del fabricante
ProductSafety@springernature.com
ProductSafety@springernature.com

Poststr. 9
Darmstadt
64293
Alemania

Otras ediciones populares con el mismo título

9780792347514: Problem Solving in Computational Molecular Science: Molecules in Different Environments: 500 (Nato Science Series C:, 500)

Edición Destacada

ISBN 10:  079234751X ISBN 13:  9780792347514
Editorial: Kluwer Academic Publishers, 1997
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