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Molecular Modeling Basics
Taschenbuch von Jan H. Jensen
Sprache: Englisch

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Beschreibung

Molecular modeling is becoming an increasingly important part of chemical research and education. This volume provides the fundamental theory needed to understand not only what molecular modeling programs do, but also the gist of research papers that describe molecular modeling results. It begins by examining the potential energy surface (PES). It explores ways to calculate energy by molecular and quantum mechanics. It describes molecular properties and the condensed phase, and shows how to extract and interpret information from a program output. The author uses hands-on exercises to illustrate concepts and he supplements the text with a blog containing animated tutorials and interactive figures.

Molecular modeling is becoming an increasingly important part of chemical research and education. This volume provides the fundamental theory needed to understand not only what molecular modeling programs do, but also the gist of research papers that describe molecular modeling results. It begins by examining the potential energy surface (PES). It explores ways to calculate energy by molecular and quantum mechanics. It describes molecular properties and the condensed phase, and shows how to extract and interpret information from a program output. The author uses hands-on exercises to illustrate concepts and he supplements the text with a blog containing animated tutorials and interactive figures.

Über den Autor
Jan H. Jensen , Ph.D., was born in Denmark in 1969 and came to the United States as a foreign exchange student in 1985. He received his B.A. in chemistry from Concordia College in 1989 and his Ph.D. in theoretical chemistry from Iowa State University in 1995, working with Mark Gordon. He continued in the Gordon group as a postdoctoral associate until 1997, when he moved to the University of Iowa where he was first assistant and then associate professor of chemistry until 2006. In 2006 he moved to the University of Copenhagen where he is now professor of bio-computational chemistry in the Department of Chemistry. His research interests are primarily in the area of computational molecular biophysics-at the intersection of molecular physics, quantum chemistry, and structural biology/bioinformatics.
Inhaltsverzeichnis
The Potential Energy Surface. Calculating the Energy. Molecular Properties and the Condensed Phase. Illustrating the Concepts. The Details of the Calculations. Index.
Details
Erscheinungsjahr: 2010
Fachbereich: Allgemeine Lexika
Genre: Chemie, Importe
Rubrik: Naturwissenschaften & Technik
Medium: Taschenbuch
ISBN-13: 9781420075267
ISBN-10: 1420075268
Sprache: Englisch
Einband: Kartoniert / Broschiert
Autor: Jensen, Jan H.
Hersteller: CRC Press
Verantwortliche Person für die EU: Libri GmbH, Europaallee 1, D-36244 Bad Hersfeld, gpsr@libri.de
Maße: 234 x 156 x 10 mm
Von/Mit: Jan H. Jensen
Erscheinungsdatum: 26.04.2010
Gewicht: 0,298 kg
Artikel-ID: 128418392
Über den Autor
Jan H. Jensen , Ph.D., was born in Denmark in 1969 and came to the United States as a foreign exchange student in 1985. He received his B.A. in chemistry from Concordia College in 1989 and his Ph.D. in theoretical chemistry from Iowa State University in 1995, working with Mark Gordon. He continued in the Gordon group as a postdoctoral associate until 1997, when he moved to the University of Iowa where he was first assistant and then associate professor of chemistry until 2006. In 2006 he moved to the University of Copenhagen where he is now professor of bio-computational chemistry in the Department of Chemistry. His research interests are primarily in the area of computational molecular biophysics-at the intersection of molecular physics, quantum chemistry, and structural biology/bioinformatics.
Inhaltsverzeichnis
The Potential Energy Surface. Calculating the Energy. Molecular Properties and the Condensed Phase. Illustrating the Concepts. The Details of the Calculations. Index.
Details
Erscheinungsjahr: 2010
Fachbereich: Allgemeine Lexika
Genre: Chemie, Importe
Rubrik: Naturwissenschaften & Technik
Medium: Taschenbuch
ISBN-13: 9781420075267
ISBN-10: 1420075268
Sprache: Englisch
Einband: Kartoniert / Broschiert
Autor: Jensen, Jan H.
Hersteller: CRC Press
Verantwortliche Person für die EU: Libri GmbH, Europaallee 1, D-36244 Bad Hersfeld, gpsr@libri.de
Maße: 234 x 156 x 10 mm
Von/Mit: Jan H. Jensen
Erscheinungsdatum: 26.04.2010
Gewicht: 0,298 kg
Artikel-ID: 128418392
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