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Elsevier

Annual Reports in Computational Chemistry

  • 1 Edición, Volumen 9 - 28 de septiembre de 2013
  • Última edición
  • Editor: Ralph A. Wheeler
  • Idioma: Inglés

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics co… Leer más

Descripción

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.

Puntos claves

  • Quantum chemistry
  • Molecular mechanics
  • Force fields
  • Chemical education and applications in academic and industrial settings

De interès para

Researchers and students interested in computational chemistry

Índice

  • Contributors
  • Preface
  • Section A: Quantum Chemistry
    • Chapter One. Ligand Steric Descriptors
      • Abstract
      • 1 Introduction
      • 2 Cone Angles
      • 3 Solid Angles
      • 4 Conclusion
      • References
    • Chapter Two. Efficient Monomer-Based Quantum Chemistry Methods for Molecular and Ionic Clusters
      • Abstract
      • 1 Introduction and Overview
      • 2 Generalized Many-Body Expansion
      • 3 Symmetry-Adapted Perturbation Theory for Clusters
      • 4 XPol + SAPT with Empirical Dispersion
      • 5 Conclusions and Outlook
      • Acknowledgements
      • References
  • Section B: Bioinformatics
    • Chapter Three. Atomistic Modelling of Phosphopeptide Recognition for Modular Domains
      • Abstract
      • 1 Introduction
      • 2 Methods
      • 3 Examples of Modelling of Phosphopeptide and Modular Domain Binding
      • 4 Concluding Remarks
  • Acknowledgements
  • References
  • Index
  • Cumulative Index

Detalles del producto

  • Edición: 1
  • Última edición
  • Volumen: 9
  • Publicado: 18 de octubre de 2013
  • Idioma: Inglés

Sobre el editor

RW

Ralph A. Wheeler

Afiliaciones y experiencia
Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA

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