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    Encuadernación de tapa blanda. Condition: Bueno. Arnaut, Alberto., Luis Antonio Godina Herrera, Luis Ángeles, Carlos Arriola, Francisco Xavier Guerra. Línea. Publicación variada. Contenido: Alberto Arnaut: Los partidos y la no reelección consecutiva de legisladores. Luis Antonio Godina Herrera: Los retos del crecimiento. Luis Ángeles: Economía y democracia. Carlos Arriola: Revolución y modernidad en el siglo XXI. Francisco Xavier Guerra: México, del Antiguo Régimen a la Revolución. México, Partido Revolucionario Institucional, Diciembre 2002, Febrero 2003. Año 2, Número 1. Características: Rústica en buen estado. 107 p. (23 x 16 cms.). Peso: 240 grs. (NOR. ESP. 2029).…

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    Published by Springer, 2012

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    Published by Springer 10/31/2012, 2012

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    Paperback or Softback. Condition: New. Theoretical and Computational Models for Organic Chemistry. Book.

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  • Language: English

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    Condition: New. In English.

  • Language: English

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    Condition: New. pp. 456.

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    Paperback. Condition: Brand New. 456 pages. 9.20x6.10x1.08 inches. In Stock.

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    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.…

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    Published by Springer Netherlands, 1991

    0792313143 / 9780792313144

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    Gebunden. Condition: New. KlappentextProceedings of the NATO ASI held in Praia de Porto Novo, Portugal, August/September 1990. Ranges over the realm of theoretical and physical organic chemistry, from a novel potential energy surface for O 4, relevant for the pro.

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    Published by Kluwer Academic Pub, 1991

    0792313143 / 9780792313144

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    Hardcover. Condition: Brand New. 456 pages. 9.75x8.75x1.00 inches. In Stock.

  • Language: English

    Published by Springer, 1991

    0792313143 / 9780792313144

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    Buch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - Chemistry as an exact science.- Computational bottlenecks in molecular orbital calculations.- Variational transition state theory calculations of concerted hydrogen atom tunneling in water clusters and formaldehyde / water clusters.- Double many-body expansion potential energy surface for O4(3A), dynamics of the O(3P) + O3(1A1) reaction, and second virial coefficients of molecular oxygen.- The self-consistent reaction field model for molecular computations in solution.- New symmetry theorems and similarity rules for transition structures.- A topological analysis of macromolecular folding patterns.- Molecular mechanics.- Predicting the three-dimensional structure of proteins by homology-based model building.- Understanding chemical reactivity through the intersecting-state model.- The states of an electron pair and photochemical reactivity.- Ab-initio modelling of chemical reactivity using MC-SCF and VB methods.- The supra-supra mechanism of forbidden and allowed cycloaddition reactions: an analysis a VB model.- Excited state proton transfer reactions.- An exploratory study to correlate experimental and theoretical acidities of organic molecules.- Molecules with 'volcanic' ground hypersurfaces. Structure, stability and energetics.- Molecular hydrogen as a ligand in transition metal complexes.- Molecular orbital studies of reductive elimination reactions.- Laboratory projects in computational organic chemistry.…

  • Language: English

    Published by Elsevier Science Ltd, 2006

    0444521860 / 9780444521866

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    Hardcover. Condition: Brand New. 1st edition. 549 pages. 9.25x6.50x1.00 inches. In Stock.

  • Language: English

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    Condition: Sehr gut. Zustand: Sehr gut | Seiten: 562 | Sprache: Englisch | Produktart: Bücher | Keine Beschreibung verfügbar.

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    Gebunden. Condition: New. * 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 BiochemistryAutor/Autorin: Luis ArnautLuis G .

  • Language: English

    Published by Elsevier, 2021

    0444640398 / 9780444640390

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  • Language: English

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    Kartoniert / Broschiert. Condition: New. All first edition chapters were revised and most were extended Features two new chapters, one on Pharmacokinetics and the other on Oscillatory Reactions and Chaos Includes practical examples, detailed theoretical calculations, and.

  • Language: English

    Published by Elsevier BV Dez 2006, 2006

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    Buch. Condition: Neu. Neuware - 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.…

  • Language: English

    Published by Elsevier Inc Jun 2021, 2021

    0444640398 / 9780444640390

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    Taschenbuch. Condition: Neu. Neuware - Chemical Kinetics: From Molecular Structure to Chemical Reactivity, Second Edition, explains how molecular structures change with time. It offers a comprehensive and coherent coverage of the rates of chemical transformations. The book is written for both undergraduate chemistry students, and for the specialist. The newcomer will find the fundamental concepts, the simple experiments, and the underlying theories. For the seasoned specialist, it presents sophisticated experimental and theoretical methods, offering a panorama of time-dependent molecular phenomena connected by a new rationale. The gap between the two is bridged by a logical path that leads the reader from a phenomenological approach of molecular changes, to the formalism of chemical reaction rates, and then to state-of-the-art calculations of rate constants of the most prevalent reactions: atom transfers, catalysis, proton transfers, substitution reactions, energy transfers and electron transfers. In the process, the reader is presented with the details of collision and transition state theories. The coverage includes unimolecular reactions in the gas phase, reactions in solution and reactions on surfaces.…

  • Language: Portuguese

    Published by Imprensa da Universidade de Coimbra / Coimbra University Press, 2003

    9728704119 / 9789728704117

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    Paperback. Condition: Brand New. 1st edition. 640 pages. Portuguese language. 9.45x6.69x1.45 inches. In Stock.

  • Language: English

    Published by Springer, 2012

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    Published by Springer 2012-10, 2012

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    PF. Condition: New. This item is printed on demand. Brand new book, sourced directly from publisher. Dispatch time is 6-7 days from our warehouse. Book will be sent in robust, secure packaging to ensure it reaches you securely.

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    Published by Springer, Springer Okt 2012, 2012

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    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.…

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    Condition: New. Print on Demand pp. 456.

  • Language: English

    Published by Springer Netherlands, 2012

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    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 .…