Structure and Dynamics of Molecular Systems, R. Daudel; J.P. Korb; J.P. Lemaistre; J. Maruani

Автор: George Floudas; Marian Paluch; Andrzej Grzybowski;
Название: Molecular Dynamics of Glass-Forming Systems
ISBN: 3642266274 ISBN-13(EAN): 9783642266270
Издательство: Springer
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Цена: 217670.00 T
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Описание: This book reviews the effects of pressure on the dynamics of a variety of glass-forming systems, offering a detailed discussion of the thermodynamics of these systems and their relation to chemical specificity as well as present and potential applications.

Автор: Y.G. Smeyers
Название: Structure and Dynamics of Non-Rigid Molecular Systems
ISBN: 9401044643 ISBN-13(EAN): 9789401044646
Издательство: Springer
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Описание: This volume contains a selection of scientific papers related to the structure and dynamics of non-rigid molecules. More recently an International Symposium on Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982, the proceedings of which were published in the volume entitled Symmetries and Properties of Non-Rigid Molecules.

Автор: R. Daudel; J.P. Korb; J.P. Lemaistre; J. Maruani
Название: Structure and Dynamics of Molecular Systems
ISBN: 9401085722 ISBN-13(EAN): 9789401085724
Издательство: Springer
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Цена: 81050.00 T
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Описание: The first two papers of the present volume deal with theoretical aspects of intermolecular interactions: the first paper with the physical origin of the so-called non-exchange molecular terms, a complete deriva- tion of which is given using Rayleigh-Schrodinger second-order perturba- tion theory;

Автор: R. Daudel; J.P. Korb; J.P. Lemaistre; J. Maruani
Название: Structure and Dynamics of Molecular Systems
ISBN: 9027719772 ISBN-13(EAN): 9789027719775
Издательство: Springer
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Цена: 163000.00 T
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Описание: This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985.

Автор: Alfons Weber
Название: Structure and Dynamics of Weakly Bound Molecular Complexes
ISBN: 9401082618 ISBN-13(EAN): 9789401082617
Издательство: Springer
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Описание: Proceedings of the NATO Advanced Research Workshop, Acquafredda di Maratea, Italy, September 21-26, 1986

Автор: D. Bloor; E. Wyn-Jones
Название: The Structure, Dynamics and Equilibrium Properties of Colloidal Systems
ISBN: 0792309936 ISBN-13(EAN): 9780792309932
Издательство: Springer
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Цена: 437900.00 T
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Описание: Proceedings of the NATO Advanced Study Institute on Properties of Colloidal Systems, Aberystwyth, Wales, U.K., September 10-23, 1989

Автор: Redouane Borsali; R. Pecora
Название: Structure and Dynamics of Polymer and Colloidal Systems
ISBN: 1402005024 ISBN-13(EAN): 9781402005022
Издательство: Springer
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Цена: 88500.00 T
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Описание: Proceedings of the NATO Advanced Study Institute, Les Houches, France, 14-24 September 1999

Автор: Helgaker
Название: Molecular Electronic-Structure Theory
ISBN: 1118531477 ISBN-13(EAN): 9781118531471
Издательство: Wiley
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Цена: 74920.00 T
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Описание: Molecular electronic-structure theory uses quantum mechanics to calculate the energies and wave functions of molecules and their molecular properties. It uses sophisticated mathematics and computers to solved the wave equations. The calculations can be used to find out how the atoms of the molecule are linked together in a molecule.

Автор: Ilia A. Solov`yov; Andrey V. Korol; Andrey V. Solo
Название: Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer
ISBN: 3319560859 ISBN-13(EAN): 9783319560854
Издательство: Springer
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Цена: 102480.00 T
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Описание:

Introduction to computer simulations in modern science.- Theoretical approaches for multiscale computer simulations.- Atomic clusters and nanoparticles.- Biomolecular systems.- Nanostructured materials.- Composite materials and hybrid molecular systems.- Crystals, liquids, gases.- Thermo-mechanical properties of materials and related phenomena.- Dynamical molecular processes and related phenomena.- Multiscale phenomena.- Emerging Technologies.- Future outlook.

Автор: David A. Micha; Irene Burghardt
Название: Quantum Dynamics of Complex Molecular Systems
ISBN: 364243617X ISBN-13(EAN): 9783642436178
Издательство: Springer
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Цена: 148010.00 T
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Описание: Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis.

Автор: Vladimir A. Babkin, Gennady Efremovich Zaikov, A.
Название: Quantum-Chemical Calculation of Unique Molecular Systems vol.1
ISBN: 1926895754 ISBN-13(EAN): 9781926895758
Издательство: Taylor&Francis
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Цена: 285830.00 T
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Описание:

The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations--the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.

Автор: J. A. Tossell
Название: Nuclear Magnetic Shieldings and Molecular Structure
ISBN: 9401047227 ISBN-13(EAN): 9789401047227
Издательство: Springer
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Описание: Proceedings of the NATO Advanced Research Workshop on `The Calculation of NMR Shielding Constants and Their Use in the Determination of the Geometric and Electronic Structures of Molecules and Solids`, College Park, MD, U.S.A., July 20-24, 1992