Verwandte Artikel zu Combined Quantum Mechanical and Molecular Mechanical...

Combined Quantum Mechanical and Molecular Mechanical Methods: 712 (ACS Symposium Series) - Hardcover

 
9780841235908: Combined Quantum Mechanical and Molecular Mechanical Methods: 712 (ACS Symposium Series)

Inhaltsangabe

Combined quantum mechanical and molecular mechanical methods (QM/MM) are one of the most promising approaches for quantum mechanical calculations of chemical processes in solution and in enzymes. In such a method a relatively small part of the system (e.g. the solute) is analysed through quantum mechanics and the remainder (e.g. the solvent) is represented through molecular mechanics, thus combining the accuracy of one method with the efficiency of the other. This book provides an in-depth survey of the methods and their applications in chemistry and biochemistry.

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

Críticas

"The November 1997 symposium drew scientists from several industrialized countries to Las Vegas to describe how they can tremendously simplify the study of chemical structures and reactions in solution and in enzymes by subjecting the smaller solute part of the system to quantum mechanics and the remainder solvent to classical force field. They discuss such aspects as treating link atoms in hybrid methods, dual-level methods for electronic structure calculations of potential energy functions that use quantum mechanics as the lower level, generalized molecular mechanics including quantum electronic structure variations of polar solvents, applying linear- scaling electronic structure methods to the study of the polarization of proteins and DNA in solutions, and exciting green fluorescent protein. The text is reproduced from typescripts, some of which are double-spaced."--SciTech Book News

Reseña del editor

Combined quantum mechanical and molecular mechanical methods (QM/MM) are one of the most promising approaches for quantum mechanical calculations of chemical processes in solution and in enzymes. In such a method a relatively small part of the system (e.g. the solute) is analysed through quantum mechanics and the remainder (e.g. the solvent) is represented through molecular mechanics, thus combining the accuracy of one method with the efficiency of the other. This book provides an in-depth survey of the methods and their applications in chemistry and biochemistry.

„Über diesen Titel“ kann sich auf eine andere Ausgabe dieses Titels beziehen.

Gebraucht kaufen

Zustand: Befriedigend
Ex-library copy with usual markings...
Diesen Artikel anzeigen

EUR 12,37 für den Versand von USA nach Deutschland

Versandziele, Kosten & Dauer

Suchergebnisse für Combined Quantum Mechanical and Molecular Mechanical...

Beispielbild für diese ISBN

Gao, Jiali,Thompson, Mark A.
ISBN 10: 0841235902 ISBN 13: 9780841235908
Gebraucht Hardcover

Anbieter: Books From California, Simi Valley, CA, USA

Verkäuferbewertung 5 von 5 Sternen 5 Sterne, Erfahren Sie mehr über Verkäufer-Bewertungen

hardcover. Zustand: Good. Ex-library copy with usual markings. Artikel-Nr. mon0003509823

Verkäufer kontaktieren

Gebraucht kaufen

EUR 3,27
Währung umrechnen
Versand: EUR 12,37
Von USA nach Deutschland
Versandziele, Kosten & Dauer

Anzahl: 1 verfügbar

In den Warenkorb