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Peter Comba & Trevor W. Hambley 
Molecular Modeling of Inorganic Compounds [PDF ebook] 

Apoio

Molecular Modeling hat sich in vielen Bereichen der Chemie bereits als äußerst nützlich für die Berechnung komplexer Strukturen erwiesen. Dieses Buch zeigt, wie sich diese Methode auch für Problemstellungen aus der Anorganischen und Metallorganischen Chemie einsetzen läßt.
Es bietet im ersten Teil eine anschauliche, aktuelle Einführung in die Methode des Molecular Modeling, die Anorganiker wie Organiker, Biochemiker wie Medizinische Chemiker gleichermaßen nützlich finden werden, unabhängig vom jeweils bevorzugten Rechenprogramm. Im zweiten Teil wird die Anwendbarkeit der Methode anhand von ausgewählten Beispielen untersucht, wobei besonderer Wert daruf gelegt wird, mögliche Fehlerquellen aufzuzeigen und Wege, diese zu vermeiden. Im dritten Teil schließlich findet der Leser eine Anleitung, wie er diese Methode auf seine eigenen Fragestellungen übertragen kann, mit einer Fülle von Tricks und Kniffen.

€90.99
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From the Contents:
Part One: Theory – Parametrization, Approximations and Limitations – Computation – The Multiple Minima Problem
– Part Two: Applications – Structural Aspects – Stereoselectivities – Metal Ion Selectivities – Spectroscopy – Electron Transfer – Electronic Effects – Bioinorganic Chemistry – Organometallics – Compounds with s, p, and f Elements – Part Three: Practice – Developing a Force Field – Carrying Out Molecular Mechanics – Interpreting and Using the Results – Glossary

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Língua Inglês ● Formato PDF ● Páginas 197 ● ISBN 9783527615285 ● Tamanho do arquivo 10.7 MB ● Editora Wiley-VCH ● Publicado 2008 ● Edição 1 ● Carregável 24 meses ● Moeda EUR ● ID 2440911 ● Proteção contra cópia Adobe DRM
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