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    Electronic Structure Approaches for Biotechnology and Nanotechnology

    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

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  • Kinetics and Thermodynamics of Multistep Nucleation and Self-Assembly in Nanoscale Materials, Volume 151

    Series Libro 324 - 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 and physical chemistry fields 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 ... Leer más

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  • 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

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  • Fragmentation: Toward Accurate Calculations on Complex Molecular Systems

    Edición de Mark S. Gordon ...
    Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or ... 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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