rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Annual reports in computational chemistry
    part number: Vol. 5
  name:
    name part: Wheeler, Ralph A.
  name:
    name part: Spellmeyer, David Charles
    name part: 1961-
  name:
    name part: ScienceDirect (Online service)
  type of resource: text
  genre: bibliography
  genre: Electronic books.
  origin info:
    place:
      place term: ne
    place:
      place term: Amsterdam
    place:
      place term: London
    publisher: Elsevier Science
    date issued: 2009
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource (xi, 198 pages)
  abstract: Annual Reports in Computational Chemistry is a new periodical providing 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. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a "must" for researchers and students wishing to stay up-to-date on current developments in computational chemistry. * Broad coverage of computational chemistry and up-to-date information * Topics covered include bioinformatics, drug discovery, protein NMR, simulation methodologies, and applications in academic and industrial settings * Each chapter reviews the most recent literature on a specific topic of interest to computational chemists.
  table of contents: 1. Free energies of lipid - lipid interactions in membranes -- W.F. Drew Bennett* and D. Peter Tieleman 2. Quantifying uncertainty and sampling quality in biomolecular simulations -- Alan Grossfield and Daniel M. Zuckerman 3. Methods for Monte Carlo simulations of biomacromolecules -- Andreas Vitalis*, and Rohit V. Pappu 4. Accelerated Molecular Dynamics Methods: Introduction and Recent Developments -D. Perez, B. P. Uberuaga, Y. Shim, J. G. Amar and A. F. Voter 5. Recent Advances on in silico ADME Modeling -Junmei Wang and Tingjun Hou 6. Explicitly correlated coupled-cluster methods -- Toru Shiozaki∗ Edward F. Valeev∗ and So Hirata 7. The Density Matrix Renormalization Group in Quantum Chemistry Garnet Kin-Lic Chan and Dominika Zgid 8. Electron Transfer in Gaseous Positively Charged Peptides -- Relation to Mass Spectrometry -- Jack Simons
  note: edited by Ralph Wheeler, David Spellmeyer.
  note: Includes bibliographical references and index.
  subject:
    topic: Chemistry
    topic: Data processing
  subject:
    topic: Chemistry
    topic: Computer simulation
  subject:
    topic: Cheminformatics
  subject:
    topic: Chimio-informatique
  subject:
    topic: Chimie
    topic: Simulation par ordinateur
  subject:
    topic: SCIENCE
    topic: Chemistry
    topic: Clinical
  subject:
    topic: Chemistry
    topic: Computer simulation
  subject:
    topic: Chemistry
    topic: Data processing
  classification: QD39.3.E46 A56 2009eb
  classification: 542.85
  related item:
    title info:
      title: Annual reports in computational chemistry Vol. 5
    origin info:
      publisher: Amsterdam ; London : Elsevier Science, 2009
    identifier: (OCoLC)424556311
  identifier: 9780080888675
  identifier: 0080888674
  identifier: 9780444533593
  identifier: 0444533591
  identifier: 9780080888675 Ingram Content Group
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: N$T
    record creation date: 110302
    record change date: 20260326185421.6
    record identifier: in00005747639
    language of cataloging:
      language term: eng