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  • Some Electrical and Optical Aspects of Molecular Behaviour

    The Commonwealth and International Library: Chemistry Division

    de Mansel Davies ...
    Some Electrical and Optical Aspects of Molecular Behaviour deals with dipole moments, molecular science, and molecular polarizability. The author explains the refractive index and the electric permittivity including polarization, polarizability, the Mossotti-Clausius equation, molar polarization, and molar refraction. The author also addresses the results of dipole moment measurements, the ... Leer más

    $65.99 USD

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  • Molecular Orbitals and Organic Chemical Reactions

    de Ian Fleming ...
    Winner of the PROSE Award for Chemistry & Physics 2010Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are ... Leer más

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  • Kinetics and Dynamics of Elementary Gas Reactions

    Butterworths Monographs in Chemistry and Chemical Engineering

    Kinetics and Dynamics of Elementary Gas Reactions surveys the state of modern knowledge on elementary gas reactions to understand natural phenomena in terms of molecular behavior. Part 1 of this book describes the theoretical and conceptual background of elementary gas-phase reactions, emphasizing the assumptions and limitations of each theoretical approach, as well as its strengths. In Part 2, ... Leer más

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  • Introduction to Computational Materials Science

    Fundamentals to Applications

    de Richard LeSar ...
    Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. ... Leer más

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  • Time-Dependent Density-Functional Theory

    Concepts and Applications

    Series series Oxford Graduate Texts
    Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the ... Leer más

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  • Modeling of Magnetic Particle Suspensions for Simulations

    de Akira Satoh ...
    The main objective of the book is to highlight the modeling of magnetic particles with different shapes and magnetic properties, to provide graduate students and young researchers information on the theoretical aspects and actual techniques for the treatment of magnetic particles in particle-based simulations. In simulation, we focus on the Monte Carlo, molecular dynamics, Brownian dynamics, ... Leer más

    $70.99 USD

  • Advances in Chemical Physics, Volume 162

    Edición de Stuart A. Rice, Aaron R. Dinner ...
    Series series Advances in Chemical Physics
    The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.• This is the only series of volumes available that presents the cutting edge of research in chemical physics.• Includes contributions from experts in this field of research.• Contains a representative cross-section of research ... Leer más

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  • Single-Ion Solvation

    Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities

    Series Libro 3 - Theoretical and Computational Chemistry Series
    Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parameters associated with the solvation of a given ion. However, due to the constraint of electroneutrality, the involvement of surface effects and the ambiguous connection between microscopic and ... Leer más

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  • Chemical Processes in Atmospheric Oxidation

    Laboratory Studies of Chemistry Related to Tropospheric Ozone

    Edición de Georges Le Bras ...
    Series series Earth and Environmental Science (R0)
    Oxidation and removal of atmospheric constituents involve complex sequences of reactions which can lead to the production of photo-oxidants such as ozone. In order to understand and model these complex reaction sequences, it is necessary to have a comprehensive understanding of reaction mechanisms and accurate estimates of kinetic parameters for relevant gas-phase atmospheric reactions. This book ... Leer más

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  • Introduction to Computational Mass Transfer

    With Applications to Chemical Engineering

    Series series Engineering (R0)
    This book presents a new computational methodology called Computational Mass Transfer (CMT). It offers an approach to rigorously simulating the mass, heat and momentum transfer under turbulent flow conditions with the help of two newly published models, namely the C’2—εC’ model and the Reynolds mass flux model, especially with regard to predictions of concentration, temperature and velocity ... Leer más

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  • Quantum Systems in Physics, Chemistry, and Biology

    Advances in Concepts and Applications

    Series series Springer Nature Proceedings excluding Computer Science
    This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology. In particular, it discusses atomic and molecular structure, dynamics and spectroscopy as well as applications of quantum theory to biological and condensed matter systems.The volume contains twenty-four selected, peer-reviewed contributions based on ... Leer más

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  • Metal and Alloy Bonding - An Experimental Analysis

    Charge Density in Metals and Alloys

    Series series Chemistry and Material Science (R0)
    Charge density analysis of materials provides a firm basis for the evaluation of the properties of materials. The design and engineering of a new combination of metals requires a firm knowledge of intermolecular features. Recent advances in technology and high-speed computation have made the crystal X-ray diffraction technique a unique tool for the determination of charge density distribution in ... Leer más

    $89.99 USD