Molecular Modeling of Inorganic Compounds

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After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest...

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Detalles Bibliográficos
Autores principales: Comba, Peter, Hambley, Trevor W, Martin, Bodo
Lenguaje:eng
Publicado: Wiley-VCH 2009
Materias:
XX
Acceso en línea:http://cds.cern.ch/record/1320575
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author Comba, Peter
Hambley, Trevor W
Martin, Bodo
author_facet Comba, Peter
Hambley, Trevor W
Martin, Bodo
author_sort Comba, Peter
collection CERN
description After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.
id cern-1320575
institution Organización Europea para la Investigación Nuclear
language eng
publishDate 2009
publisher Wiley-VCH
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spelling cern-13205752019-09-30T06:29:59Zhttp://cds.cern.ch/record/1320575engComba, PeterHambley, Trevor WMartin, BodoMolecular Modeling of Inorganic CompoundsXXAfter the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.Wiley-VCHoai:cds.cern.ch:13205752009
spellingShingle XX
Comba, Peter
Hambley, Trevor W
Martin, Bodo
Molecular Modeling of Inorganic Compounds
title Molecular Modeling of Inorganic Compounds
title_full Molecular Modeling of Inorganic Compounds
title_fullStr Molecular Modeling of Inorganic Compounds
title_full_unstemmed Molecular Modeling of Inorganic Compounds
title_short Molecular Modeling of Inorganic Compounds
title_sort molecular modeling of inorganic compounds
topic XX
url http://cds.cern.ch/record/1320575
work_keys_str_mv AT combapeter molecularmodelingofinorganiccompounds
AT hambleytrevorw molecularmodelingofinorganiccompounds
AT martinbodo molecularmodelingofinorganiccompounds

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