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  • BVB  (5)
Type of Publication
Consortium
  • BVB  (5)
Language
  • 1
    Book
    Book
    Amsterdam ; Kidlington ; Cambridge, MA : Elsevier
    UID:
    (DE-604)BV047440683
    Format: xii, 681 Seiten , Illustrationen, Diagramme
    Edition: Second edition
    ISBN: 9780444640390
    Language: English
    Subjects: Chemistry/Pharmacy
    RVK:
    Keywords: Reaktionskinetik
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  • 2
    UID:
    (DE-604)BV042415945
    Format: 1 Online-Ressource (XVIII, 434 p)
    ISBN: 9789401135849 , 9789401055895
    Series Statement: NATO ASI Series, Series C: Mathematical and Physical Sciences 339
    Note: 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
    Language: English
    Keywords: Organische Chemie ; Computersimulation ; Organische Chemie ; Datenverarbeitung ; Konferenzschrift
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  • 3
    UID:
    (DE-604)BV023289072
    Format: XII, 549 S. , Ill., graph. Darst. , 25 cm
    Edition: 1st ed.
    ISBN: 9780444521866 , 0444521860
    Note: Includes bibliographical references and indexes
    Language: English
    Subjects: Chemistry/Pharmacy
    RVK:
    Keywords: Reaktionskinetik
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  • 4
    UID:
    (DE-604)BV042304762
    Format: 1 Online-Ressource (xii, 549 p.) , Illustrationen, Diagramme
    Edition: 1st ed
    ISBN: 9780444521866 , 0444521860 , 9780080469348 , 0080469345
    Note: Chemical Kinetics bridges the gap between beginner and specialist with a path that leads the reader from the phenomenological approach to the rates of chemical reactions to the state-of-the-art calculation of the rate constants of the most prevalent reactions: atom transfers, catalysis, proton transfers, substitution reactions, energy transfers and electron transfers. For the beginner provides the basics: the simplest concepts, the fundamental experiments, and the underlying theories. For the specialist shows where sophisticated experimental and theoretical methods combine to offer a panorama of time-dependent molecular phenomena connected by a new rational. Chemical Kinetics goes far beyond the qualitative description: with the guidance of theory, the path becomes a reaction path that can actually be inspected and calculated. But Chemical Kinetics is more about structure and reactivity than numbers and calculations. A great emphasis in the clarity of the concepts is achieved by illustrating all the theories and mechanisms with recent examples, some of them described with sufficient detail and simplicity to be used in general chemistry and lab courses. * Looking at atoms and molecules, and how molecular structures change with time. * Providing practical examples and detailed theoretical calculations * Of special interest to Industrial Chemistry and Biochemistry , Includes bibliographical references and index
    Language: English
    Subjects: Chemistry/Pharmacy
    RVK:
    Keywords: Reaktionskinetik
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  • 5
    UID:
    (DE-604)BV023271796
    Format: 1 Online-Ressource
    ISBN: 9786610751822
    Additional Edition: Erscheint auch als Druck-Ausgabe ISBN 978-0-444-52186-6
    Language: English
    Subjects: Chemistry/Pharmacy
    RVK:
    Keywords: Reaktionskinetik
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