Items related to Theoretical and Computational Models for Organic Chemistry...
Theoretical and Computational Models for Organic Chemistry (Nato Science Series C:, 339) - Softcover
The papers in this volume were presented at the NATO Advanced Study Institute held in Porto Novo, Portugal, August 26 - September 8, 1990. The Institute has been able to cover a wide spectrum of the Theoretical and Computational Models for organic molecules and organic reactions, ranging from the ab initio to the more empirical approaches, in the tradition established in the previous Institutes at S. Feliu de Guixols (Spain) and Altinoluk (Turkey). The continuity with this work was achieved by inviting half of the lecturers present in those meetings. But other important subjects were also covered at Porto Novo by new lecturers, both from universities and the industry. Molecular Mechanics, Protein Structure and Unidimensional Models were introduced by the first time. The concept of building on the expertise already acquired and available, both in terms of methods and contents, to develop in new directions, was appreciated by participants and lecturers. The Institute first considered the fundamentals of molecular orbital computations and ab initio methods and the construction of Potential Energy Surfaces. These subjects were further explored in several applications related with optimization of equilibrium geometries and transition structures. Practical examples were studied in Tutorial sessions and solved in the computational projects making use of the Gaussian 88 and Gaussian 90 programs. Empirical models can be complementary to the quantum-mechanical ones in equilibrium geometry optimizations.
"synopsis" may belong to another edition of this title.
Review:
'The book is meticulously produced....This book will be extremely useful to specialists as well as new entrants into the field of modern computational chemistry. Every institution having sophisticated computer facilities, wherein theoretical chemistry is zealously practised, should possess a copy of this book.'
Bulletin of Electrochemistry 8:2 1992
Bulletin of Electrochemistry 8:2 1992
"About this title" may belong to another edition of this title.
- PublisherSpringer
- Publication date2012
- ISBN 10 9401055890
- ISBN 13 9789401055895
- BindingPaperback
- Number of pages452
- EditorFormosinho S.J., Csizmadia Imre G., Arnaut Luìs G.
Buy New
Learn more about this copy
US$ 56.44
Shipping:
FREE
Within U.S.A.
Top Search Results from the AbeBooks Marketplace
Seller Image
Theoretical and Computational Models for Organic Chemistry (Nato Science Series C:) [Paperback ]
Seller:
Rating
Book Description Soft Cover. Condition: new. Seller Inventory # 9789401055895
Buy New
US$ 56.44
Convert currency
Stock Image
Theoretical and Computational Models for Organic Chemistry (Nato Science Series C:, 339)
Published by
Springer
(2012)
ISBN 10: 9401055890
ISBN 13: 9789401055895
New
Softcover
Quantity: > 20
Seller:
Rating
Book Description Condition: New. Seller Inventory # ABLIING23Apr0412070055513
Buy New
US$ 59.75
Convert currency
Stock Image
Theoretical and Computational Models for Organic Chemistry
Published by
Springer
(2012)
ISBN 10: 9401055890
ISBN 13: 9789401055895
New
Softcover
Quantity: > 20
Seller:
Rating
Book Description Condition: New. PRINT ON DEMAND Book; New; Fast Shipping from the UK. No. book. Seller Inventory # ria9789401055895_lsuk
Buy New
US$ 63.86
Convert currency
Stock Image
Theoretical and Computational Models for Organic Chemistry
Published by
Springer Verlag
(2012)
ISBN 10: 9401055890
ISBN 13: 9789401055895
New
Paperback
Quantity: 2
Seller:
Rating
Book Description Paperback. Condition: Brand New. 456 pages. 9.20x6.10x1.08 inches. In Stock. Seller Inventory # x-9401055890
Buy New
US$ 78.32
Convert currency
Seller Image
Theoretical and Computational Models for Organic Chemistry
Published by
Springer Netherlands
(2012)
ISBN 10: 9401055890
ISBN 13: 9789401055895
New
Taschenbuch
Quantity: 1
Seller:
Rating
Book Description Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - The papers in this volume were presented at the NATO Advanced Study Institute held in Porto Novo, Portugal, August 26 - September 8, 1990. The Institute has been able to cover a wide spectrum of the Theoretical and Computational Models for organic molecules and organic reactions, ranging from the ab initio to the more empirical approaches, in the tradition established in the previous Institutes at S. Feliu de Guixols (Spain) and Altinoluk (Turkey). The continuity with this work was achieved by inviting half of the lecturers present in those meetings. But other important subjects were also covered at Porto Novo by new lecturers, both from universities and the industry. Molecular Mechanics, Protein Structure and Unidimensional Models were introduced by the first time. The concept of building on the expertise already acquired and available, both in terms of methods and contents, to develop in new directions, was appreciated by participants and lecturers. The Institute first considered the fundamentals of molecular orbital computations and ab initio methods and the construction of Potential Energy Surfaces. These subjects were further explored in several applications related with optimization of equilibrium geometries and transition structures. Practical examples were studied in Tutorial sessions and solved in the computational projects making use of the Gaussian 88 and Gaussian 90 programs. Empirical models can be complementary to the quantum-mechanical ones in equilibrium geometry optimizations. Seller Inventory # 9789401055895
Buy New
US$ 65.31
Convert currency
Seller Image
Theoretical and Computational Models for Organic Chemistry
Published by
Springer Netherlands
(2012)
ISBN 10: 9401055890
ISBN 13: 9789401055895
New
Softcover
Quantity: > 20
Seller:
Rating
Book Description Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Proceedings of the NATO Advanced Study Institute, Praia de Porto Novo, Portugal, August 26-September 8, 1990 The papers in this volume were presented at the NATO Advanced Study Institute held in Porto Novo, Portugal, August 26 - September 8, 1990. The . Seller Inventory # 5832277
Buy New
US$ 53.08
Convert currency
Stock Image
Theoretical and Computational Models for Organic Chemistry
Seller:
Rating
Book Description PF. Condition: New. Seller Inventory # 6666-IUK-9789401055895
Buy New
US$ 91.15
Convert currency
Seller Image
Theoretical and Computational Models for Organic Chemistry
Published by
Springer Netherlands Okt 2012
(2012)
ISBN 10: 9401055890
ISBN 13: 9789401055895
New
Taschenbuch
Quantity: 2
Seller:
Rating
Book Description Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The papers in this volume were presented at the NATO Advanced Study Institute held in Porto Novo, Portugal, August 26 - September 8, 1990. The Institute has been able to cover a wide spectrum of the Theoretical and Computational Models for organic molecules and organic reactions, ranging from the ab initio to the more empirical approaches, in the tradition established in the previous Institutes at S. Feliu de Guixols (Spain) and Altinoluk (Turkey). The continuity with this work was achieved by inviting half of the lecturers present in those meetings. But other important subjects were also covered at Porto Novo by new lecturers, both from universities and the industry. Molecular Mechanics, Protein Structure and Unidimensional Models were introduced by the first time. The concept of building on the expertise already acquired and available, both in terms of methods and contents, to develop in new directions, was appreciated by participants and lecturers. The Institute first considered the fundamentals of molecular orbital computations and ab initio methods and the construction of Potential Energy Surfaces. These subjects were further explored in several applications related with optimization of equilibrium geometries and transition structures. Practical examples were studied in Tutorial sessions and solved in the computational projects making use of the Gaussian 88 and Gaussian 90 programs. Empirical models can be complementary to the quantum-mechanical ones in equilibrium geometry optimizations. 456 pp. Englisch. Seller Inventory # 9789401055895
Buy New
US$ 93.88
Convert currency