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The spectra and dynamics of diatomic molecules / par Lefebvre-Brion, Hélène. Publication : Amsterdam ; | London : Academic, 2004 . xxx, 766 pages : , Previous edition published as: Perturbations in the spectra of diatomic molecules. 1986. 25 cm Date : 2004 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Ab initio molecular dynamics basic theory and advanced methods par Marx, Dominik. Publication : Cambridge | New York Cambridge University Press 2009 . x, 567 pages 26 cm. Date : 2009 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Charge and energy transfer dynamics in molecular systems par May, Volkhard. Publication : Weinheim Wiley-VCH, 2011 . xix, 562 pages 25 cm. Date : 2011 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Chemical dynamics in condensed phases relaxation, transfer, and reactions in condensed molecular systems par Nitzan,, Abraham. Publication : [S.l.] Oxford University Press, USA 2006 . 744 p. , This text provides a uniform and consistent approach to diversified problems encountered in the study of dynamical processes in condensed phase molecular systems. Given the broad interdisciplinary aspect of this subject, the book focuses on three themes: coverage of needed background material, in-depth introduction of methodologies, and analysis of several key applications. The uniform approach and common language used in all discussions help to develop general understanding and insight on condensed phases chemical dynamics. The applications discussed are among the most fundamental processes that underlie physical, chemical and biological phenomena in complex systems. The first part of the book starts with a general review of basic mathematical and physical methods (Chapter 1) and a few introductory chapters on quantum dynamics (Chapter 2), interaction of radiation and matter (Chapter 3) and basic properties of solids (chapter 4) and liquids (Chapter 5). In the second part the text embarks on a broad coverage of the main methodological approaches. The central role of classical and quantum time correlation functions is emphasized in Chapter 6. The presentation of dynamical phenomena in complex systems as stochastic processes is discussed in Chapters 7 and 8. The basic theory of quantum relaxation phenomena is developed in Chapter 9, and carried on in Chapter 10 which introduces the density operator, its quantum evolution in Liouville space, and the concept of reduced equation of motions. The methodological part concludes with a discussion of linear response theory in Chapter 11, and of the spin-boson model in chapter 12. The third part of the book applies the methodologies introduced earlier to several fundamental processes that underlie much of the dynamical behaviour of condensed phase molecular systems. Vibrational relaxation and vibrational energy transfer (Chapter 13), Barrier crossing and diffusion controlled reactions (Chapter 14), solvation dynamics (Chapter 15), electron transfer in bulk solvents (Chapter 16) and at electrodes/electrolyte and metal/molecule/metal junctions (Chapter 17), and several processes pertaining to molecular spectroscopy in condensed phases (Chapter 18) are the main subjects discussed in this part. 25 cm. Date : 2006 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Dynamics of molecule surface interactions / par Billing, Gert D. Publication : New York : Wiley, 2000 . xii, 235 p. : , "A Wiley-Interscience publication." 25 cm. Date : 2000 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Introduction to molecular motion in polymers par Pethrick, Richard A. Publication : [S.l.] Whittles Publishing 2011 . 224 p. , This book explains how molecular movement is determined by chemical structure, then how motion controls the physical and technological properties of polymer materials. Readers are introduced to the concepts of molecular movement in polymers and the connections with causative chemical structure on the one hand and resulting bulk physical and technological behavior on the other. The approach is non-mathematical, but is molecularly based and allows readers to understand the detailed chemical and rigorous mathematical discussions of more advanced texts. 24 cm. Date : 2011 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Molecular aggregation : structure analysis and molecular simulation of crystals and liquids par Gavezzotti,, Angelo. Publication : [S.l.] Oxford University Press, USA 2007 . 448 p. , This book is divided in two parts. Part I provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum chemistry, the intermolecular potential, force field and molecular dynamics methods, structural correlation, and thermodynamics. This Part is written in simple and intuitive form, so that the reader may easily find there the essential background for the discussions in the second part. Part II exposes the present status of studies in the analysis, categorization, prediction and control, at a molecular level, of intermolecular interactions in liquids, solutions, mesophases, and crystals. The main focus is here on the links between energies, structures, and chemical or physical properties. 24 cm. Date : 2007 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Molecular energetics condensed-phase thermochemical techniques par Simões,, José A. Marti Publication : [S.l.] Oxford University Press, USA, 2008 . 304 p. , This book offers a broad discussion of the concepts required to understand the thermodynamic stability of molecules and bonds and a description of the most important condensed-phase techniques that have been used to obtain that information. Above all, this book attempts to provide useful guidelines on how to choose the "best" data and how to use it to understand chemistry. Although the book assumes some basic knowledge on physical-chemistry, it has been written in a "textbook" style and most topics are addressed in a way that is accessible to advanced undergraduate students. Many examples are given throughout the text, involving a variety of molecules. This text will provide a good starting point for those who wish to initiate in the field or simply to understand how to assess, to estimate, and to use thermochemical data. It will therefore appeal to a broad range of practicing chemists and particularly to those interested in energetics-structure-reactivity relationships. 24 cm. Date : 2008 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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Numerical simulation in molecular dynamics : numerics, algorithms, parallelization, applications / par Griebel, Michael, Publication : Berlin : Springer, 2007 . xi, 470 pages : 24 cm. Date : 2007 Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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An introduction to dynamics of colloids / par Dhont, Jan K. G. Publication : . 1 online resource (xvii, 642 pages) : Disponibilité :  http://www.sciencedirect.com/science/book/9780444820099,

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Computer simulation of liquids / par Allen, M. P., Publication : . xiv, 626 pages : 25 cm Disponibilité : Exemplaires disponibles: La bibliothèque des Sciences Exactes et Naturelles (1),

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