Modelling Molecular Structures
1996
|
2nd ed.
John Wiley & Sons Ltd (Hersteller)
978-0-471-96491-9 (ISBN)
John Wiley & Sons Ltd (Hersteller)
978-0-471-96491-9 (ISBN)
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This treatment of molecular modelling uses a large number of examples to discuss the methods in use in the late 1990s. The text shows how computer modelling can be applied to molecules in DNA chains, molecules in polymers, single molecules in the gas phase, and interactions between molecules.
Molecular modelling has come a long way since the days of plastic atoms, mechanical springs and green tubing. This study guides the reader through the maze of computer modelling. It provides an up-to-date treatment of the subject, discussing molecular mechanics, empirical, semi-empirical and Ab Initio methods. Numerous worked examples and illustrations are included.
Molecular modelling has come a long way since the days of plastic atoms, mechanical springs and green tubing. This study guides the reader through the maze of computer modelling. It provides an up-to-date treatment of the subject, discussing molecular mechanics, empirical, semi-empirical and Ab Initio methods. Numerous worked examples and illustrations are included.
Prerequisites; Molecular Mechanics; The Hydrogen Molecule Ion And Potential Energy Surfaces; The Hydrogen Molecule; The Electron Density; Self-Consistent Fields; Hnckel Theory; Differential Overlap Models; Atomic Orbital Choice; An Ab Initio Package - Gaussian 92; Electron Correlation; The X Model; Potential Energy Surfaces; Primary Properties; Induces Properties; Half A Dozen Applications.
| Erscheint lt. Verlag | 24.4.1996 |
|---|---|
| Reihe/Serie | Wiley Tutorial Series in Theoretical Chemistry |
| Verlagsort | Chichester |
| Sprache | englisch |
| Gewicht | 20 g |
| Themenwelt | Informatik ► Grafik / Design ► Digitale Bildverarbeitung |
| Naturwissenschaften ► Biologie ► Genetik / Molekularbiologie | |
| Naturwissenschaften ► Chemie ► Physikalische Chemie | |
| ISBN-10 | 0-471-96491-3 / 0471964913 |
| ISBN-13 | 978-0-471-96491-9 / 9780471964919 |
| Zustand | Neuware |
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