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Showing 1 - 12 of 12 results for “giulio armando ottonello”
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  • Ab-initio Assisted Petrology

    by Giulio Armando Ottonello, Marco Attene, Marino Vetuschi Zuccolini ...
    Series series Earth and Environmental Science (R0)
    This book provides a promotional exercise to foster the application of quantum mechanics to petrology. It addresses long-standing discrepancies in high-pressure melting data and provides a full appraisal of anharmonicity, essential for computing heat capacities, Gibbs free energy, and energy landscapes. Unlike empirical models, quantum-mechanical simulations deliver first-principles accuracy for ... Read more

    $217.79 CAD

  • Quantum Geochemistry

    by Giulio Armando Ottonello ...
    Series series Earth and Environmental Science (R0)
    This book summarizes recent impressive improvements in the application of Quantum Mechanics, coupled with the significant increase in both speed and storage capabilities of modern computers, that allow to depict the energy and reactive properties of chemically complex materials through first principles and destroy the dogmatic assumption that the natural complexity cannot be modeled. It presents ... Read more

    $192.19 CAD

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  • 100 Years Of Subatomic Physics

    by Ernest M Henley, Stephen D Ellis ...
    By year 1911 radioactivity had been discovered for over a decade, but its origin remained a mystery. Rutherford's discovery of the nucleus and the subsequent discovery of the neutron by Chadwick started the field of subatomic physics — a quest for understanding the fundamental constituents of matter.This book reviews the important achievements in subatomic physics in the past century. The chapters ... Read more

    $41.79 CAD

  • NMR Spectroscopy

    Basic Principles, Concepts and Applications in Chemistry

    by Harald Günther ...
    Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful and widely used techniques in chemical research for investigating structures and dynamics of molecules. Advanced methods can even be utilized for structure determinations of biopolymers, for example proteins or nucleic acids. NMR is also used in medicine for magnetic resonance imaging (MRI). The method is based on spectral ... Read more

    $103.99 CAD

  • Molecular Thermodynamics of Fluid-Phase Equilibria

    by John Prausnitz, Rudiger Lichtenthaler, Edmundo Gomes de Azevedo ...
    The classic guide to mixtures, completely updated with new models, theories, examples, and data.Efficient separation operations and many other chemical processes depend upon a thorough understanding of the properties of gaseous and liquid mixtures. Molecular Thermodynamics of Fluid-Phase Equilibria, Third Edition is a systematic, practical guide to interpreting, correlating, and predicting ... Read more

    $155.99 CAD

  • Recent Progress In Orbital-free Density Functional Theory

    by Yan Alexander Wang, Tomasz A Wesolowski ...
    Series Book 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 ... Read more

    $64.89 CAD

  • Tunnelling in Molecules

    Nuclear Quantum Effects from Bio to Physical Chemistry

    Edited by Johannes Kästner, Sebastian Kozuch ...
    Series Book 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 ... Read more

    $271.99 CAD

  • Colloidal Foundations of Nanoscience

    Edited by 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 ... Read more

    $169.59 CAD

  • A Matter of Density

    Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences

    by N. Sukumar ...
    The origins and significance of electron density in the chemical, biological, and materials sciencesElectron density is one of the fundamental concepts underlying modern chemistry and one of the key determinants of molecular structure and stability. It is also the basic variable of density functional theory, which has made possible, in recent years, the application of the mathematical theory of ... Read more

    $165.99 CAD

  • Computational Chemistry

    Introduction to the Theory and Applications of Molecular and Quantum Mechanics

    by Errol G. Lewars ...
    Series series Chemistry and Material Science (R0)
    This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry."Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic ... Read more

    $83.79 CAD

  • Computational Strategies for Spectroscopy

    from Small Molecules to Nano Systems

    Edited by 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 ... Read more

    $173.99 CAD

  • Nuclear Spin Relaxation in Liquids

    Theory, Experiments, and Applications, Second Edition

    by Jozef Kowalewski, Lena Maler ...
    Nuclear magnetic resonance (NMR) is widely used across many fields of science because of the rich data it produces, and some of the most valuable data come from studies of nuclear spin relaxation in solution. The first edition of this book, published more than a decade ago, provided an accessible and cohesive treatment of the field. The present second edition is a significant update, covering ... Read more

    $97.55 CAD