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Autor(en): 
  • Rice
  • Prigogine
  • Advances Chem Physics V 93 C 
     

    (Buch)
    Dieser Artikel gilt, aufgrund seiner Grösse, beim Versand als 3 Artikel!


    Übersicht
     
    Lieferstatus:   i.d.R. innert 5-10 Tagen versandfertig
    Veröffentlichung:  1996  
    Genre:  Naturwissensch., Medizin, Technik 
    ISBN:  9780471143215 
    EAN-Code: 
    9780471143215 
    Verlag:  John Wiley & Sons 
    Einband:  Kartoniert  
    Sprache:  English  
    Dimensionen:  H 234 mm / B 156 mm / D 43 mm 
    Gewicht:  1139 gr 
    Seiten:  828 
    Zus. Info:  49:B&W 6.14 x 9.21 in or 234 x 156 mm (Royal 8vo) Perfect Bound on White w/Gloss Lam 
    Bewertung: Titel bewerten / Meinung schreiben
    Inhalt:
    The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently. These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretation of chemical phenomena and a guide to laboratory experiments. However, the success of these recent developments in computational quantum chemistry is not well known outside the community of practitioners. In order to make the larger community of chemical physicists aware of the current state of the subject, this self-contained volume of Advances in Chemical Physics surveys a number of the recent accomplishments in computational quantum chemistry.
    This stand-alone work presents the cutting edge of research in computational quantum mechanics. Supplemented with more than 150 illustrations, it provides evaluations of a broad range of methods, including: * Quantum Monte Carlo methods in chemistry * Monte Carlo methods for real-time path integration * The Redfield equation in condensed-phase quantum dynamics * Path-integral centroid methods in quantum statistical mechanics and dynamics * Multiconfigurational perturbation theory-applications in electronic spectroscopy * Electronic structure calculations for molecules containing transition metals * And more
    Contributors to New Methods in Computational Quantum Mechanics
    KERSTIN ANDERSSON, Department of Theoretical Chemistry, Chemical Center, Sweden
    DAVID M. CEPERLEY, National Center for Supercomputing Applications and Department of Physics, University of Illinois at Urbana-Champaign, Illinois
    MICHAEL A. COLLINS, Research School of Chemistry, Australian National University, Canberra, Australia
    REINHOLD EGGER, Fakultät für Physik, Universität Freiburg, Freiburg, Germany
    ANTHONY K. FELTS, Department of Chemistry, Columbia University, New York
    RICHARD A. FRIESNER, Department of Chemistry, Columbia University, New York
    MARKUS P. FÜLSCHER, Department of Theoretical Chemistry, Chemical Center, Sweden
    K. M. HO, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa
    C. H. MAK, Department of Chemistry, University of Southern California, Los Angeles, California
    PER-ÅKE Malmqvist, Department of Theoretical Chemistry, Chemical Center, Sweden
    MANUELA MERCHán, Departamento de Química Física, Universitat de Valéncia, Spain
    LUBOS MITAS, National Center for Supercomputing Applications and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Illinois
    STEFANO OSS, Dipartimento di Fisica, Università di Trento and Istituto Nazionale di Fisica della Materia, Unità di Trento, Italy
    KRISTINE PIERLOOT, Department of Chemistry, University of Leuven, Belgium
    W. THOMAS POLLARD, Department of Chemistry, Columbia University, New York
    BJÖRN O. ROOS, Department of Theoretical Chemistry, Chemical Center, Sweden
    LUIS SERRANO-ANDRÉS, Department of Theoretical Chemistry, Chemical Center, Sweden
    PER E. M. SIEGBAHN, Department of Physics, University of Stockholm, Stockholm, Sweden
    WALTER THIEL, Institut für Organische Chemie, Universität Zürich, Zürich, Switzerland
    GREGORY A. VOTH, Department of Chemistry, University of Pennsylvania, Pennsylvania
    C. Z. Wang, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa

      



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