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1 - 12 de 12 resultados para “fred manby”
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  • Accurate Condensed-Phase Quantum Chemistry

    Edición de Fred Manby ...
    Series series Computation in Chemistry
    The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which allow one to approach very high accuracy, provided t ... Leer más

    $94.99 USD

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  • Essentials of Computational Chemistry

    Theories and Models

    de Christopher J. Cramer ...
    Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in ... Leer más

    $65.00 USD

  • Flowing Matter

    Edición de Federico Toschi, Marcello Sega ...
    Series series Physics and Astronomy (R0)
    This open access book, published in the Soft and Biological Matter series, presents an introduction to selected research topics in the broad field of flowing matter, including the dynamics of fluids with a complex internal structure -from nematic fluids to soft glasses- as well as active matter and turbulent phenomena.Flowing matter is a subject at the crossroads between physics, mathematics, ... Leer más

    Gratis

  • Recent Progress In Orbital-free Density Functional Theory

    de Yan Alexander Wang, Tomasz A Wesolowski ...
    Series Libro 6 - Recent Advances In Computational Chemistry
    This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.The book is a compilation of contributions stemming from a series of workshops which had been ... Leer más

    $53.99 USD

  • Computational Methods for Large Systems

    Electronic Structure Approaches for Biotechnology and Nanotechnology

    de Jeffrey R. Reimers ...
    While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and ... Leer más

    $144.00 USD

  • Advances in Chemical Physics, Volume 149

    Edición de Stuart A. Rice, Aaron R. Dinner ...
    Series Libro 320 - Advances in Chemical Physics
    The Advances in Chemical Physics series-the cutting edge of research in chemical physicsThe 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. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in ... Leer más

    $208.00 USD

  • Single-Ion Solvation

    Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities

    de Philippe Hunenberger, Maria Reif, Walter Thiel, Kenneth D Jordan, Carmay Lim, Jonathan Hirst ...
    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

    $182.99 USD

  • Tunnelling in Molecules

    Nuclear Quantum Effects from Bio to Physical Chemistry

    Edición de Johannes Kästner, Sebastian Kozuch ...
    Series Libro 18 - Theoretical and Computational Chemistry Series
    Quantum tunnelling is one of the strangest phenomena in chemistry, where we see the wave nature of atoms acting in “impossible” ways. By letting molecules pass through the kinetic barrier instead of over it, this effect can lead to chemical reactions even close to the absolute zero, to atypical spectroscopic observations, to bizarre selectivity, or to colossal isotopic effects. Quantum mechanical ... Leer más

    $224.99 USD

  • Colloidal Foundations of Nanoscience

    Edición de Debora Berti, Gerardo Palazzo ...
    Colloidal Foundations of Nanoscience explores the theory and concepts of colloid chemistry and its applications to nanoscience and nanotechnology. It provides the essential conceptual and methodological tools to approach nano-research issues. The authors' expertise in colloid science will contribute to the understanding of basic issues involved in research. Each chapter covers a classical subject ... Leer más

    $172.99 USD

  • Guidebook to Real Time Electron Dynamics

    Irradiation Dynamics From Molecules to Nanoclusters

    de Jorge Kohanoff, Paul-Gerhard Reinhard, Lorenzo Stella, Eric Suraud ...
    This practical book presents an overview of the various approaches developed to understand the dynamics of electronic systems in physics and chemistry. It also illustrates typical application examples, namely atoms, molecules, and clusters such as nano objects. For each system, the book reviews its key features and concepts and also provides a wider perspective on other physical systems such as ... Leer más

    $73.99 USD

  • Computational Strategies for Spectroscopy

    from Small Molecules to Nano Systems

    Edición de Vincenzo Barone ...
    Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the ... Leer más

    $134.00 USD

  • Computational Chemistry

    Introduction to the Theory and Applications of Molecular and Quantum Mechanics

    de Errol G. Lewars ...
    Series series Chemistry and Material Science (R0)
    This is the third edition of the successful text-reference book that covers computational chemistry. It features changes to the presentation of key concepts and includes revised and new material with several expanded exercises at various levels such as 'harder questions' for those ready to be tested in greater depth - this aspect is absent from other textbooks in the field. Although introductory ... Leer más

    $89.99 USD