Molecular modelling for beginners [[Book] /]Alan Hinchliffe.
Von: Hinchliffe, Alan.
Mitwirkende(r): Hinchliffe, Alan.
Materialtyp:
BuchVerlag: England Hoboken, N.J. : Wiley, 2003Beschreibung: xviii, 410 p. : ill. ; 25 cm.ISBN: 0470843098 ; 0470843101 .Schlagwörter: Molecules -- Mathematical models | Molecules -- Computer simulationDDC-Klassifikation: 539.12 Online-Ressourcen: cover art
Inhalte:
Electric charges and their properties -- The forces between molecules -- Balls on springs -- Molecular mechanics -- The molecular potential energy surface -- A molecular mechanics calculation -- Quick guide to statistical thermodynamics -- Molecular dynamics -- Monte Carlo -- Introduction to quantum modelling -- Quantum gases -- One-electron atoms -- The orbital model -- Simple molecules -- The HF-LCAO model -- HF-LCAO examples -- Semi-empirical models -- Electron correlation -- Density functional theory and the Kohn-Sham LCAO equations -- Miscellany -- A mathematical aide-m�moire.
| Medientyp | Aktueller Standort | Signatur | Exemplarnr. | Status | Fälligkeitsdatum |
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Books
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6october 1104 | 539.12 HM (Regal durchstöbern) | 1 | Verfügbar |
Includes bibliographical references (p. [403]-406) and index.
Electric charges and their properties -- The forces between molecules -- Balls on springs -- Molecular mechanics -- The molecular potential energy surface -- A molecular mechanics calculation -- Quick guide to statistical thermodynamics -- Molecular dynamics -- Monte Carlo -- Introduction to quantum modelling -- Quantum gases -- One-electron atoms -- The orbital model -- Simple molecules -- The HF-LCAO model -- HF-LCAO examples -- Semi-empirical models -- Electron correlation -- Density functional theory and the Kohn-Sham LCAO equations -- Miscellany -- A mathematical aide-m�moire.
All age.
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