A. Veillard: Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry - nieuw boek
ISBN: 9789400946569
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular… Meer...
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures. Books > Chemistry eBook, Springer Shop<
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A. Veillard: Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry - nieuw boek
ISBN: 9789400946569
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular … Meer...
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures. Books > Chemistry eBook, Springer Shop<
Springer.com
new in stock. Verzendingskosten:zzgl. Versandkosten., exclusief verzendingskosten Details...
(*) Uitverkocht betekent dat het boek is momenteel niet beschikbaar op elk van de bijbehorende platforms we zoeken.
Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry - nieuw boek
ISBN: 9789400946569
Proceedings of the NATO Advanced Research Workshop (40th International Meeting of the Societe de Chimie Physique), Strasbourg, France, September 16-20, 1985 ; ; Scientific, Technical an… Meer...
Proceedings of the NATO Advanced Research Workshop (40th International Meeting of the Societe de Chimie Physique), Strasbourg, France, September 16-20, 1985 ; ; Scientific, Technical and Medical > Chemistry > Physical chemistry; GBP<
Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry - nieuw boek
ISBN: 9789400946569
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular… Meer...
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures. Books > Chemistry eBook, Springer Shop<
new in stock. Verzendingskosten:zzgl. Versandkosten. (EUR 0.00)
Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry - nieuw boek
ISBN: 9789400946569
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular … Meer...
Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures. Books > Chemistry eBook, Springer Shop<
new in stock. Verzendingskosten:zzgl. Versandkosten., exclusief verzendingskosten
Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry - nieuw boek
ISBN: 9789400946569
Proceedings of the NATO Advanced Research Workshop (40th International Meeting of the Societe de Chimie Physique), Strasbourg, France, September 16-20, 1985 ; ; Scientific, Technical an… Meer...
Proceedings of the NATO Advanced Research Workshop (40th International Meeting of the Societe de Chimie Physique), Strasbourg, France, September 16-20, 1985 ; ; Scientific, Technical and Medical > Chemistry > Physical chemistry; GBP<
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Boek bevindt zich in het datenbestand sinds 2017-01-08T20:43:17+01:00 (Amsterdam) Detailpagina laatst gewijzigd op 2022-03-19T17:27:51+01:00 (Amsterdam) ISBN/EAN: 9789400946569
ISBN - alternatieve schrijfwijzen: 978-94-009-4656-9 alternatieve schrijfwijzen en verwante zoekwoorden: Titel van het boek: the chemistry metals, challenge, coordination chemistry, quantum chemistry
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