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: Chemical modelling
    part number: Volume 12
  name:
    name part: Joswig, Jan-Ole
    role:
      role term: editor.
  name:
    name part: Springborg, Michael
    role:
      role term: editor.
  name:
    name part: Royal Society of Chemistry (Great Britain)
  type of resource: text
  genre: Electronic books.
  origin info:
    place:
      place term: enk
    date issued: 2015
    copyright date: 2016
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource
  abstract: Chemical Modelling covers a wide range of disciplines and this Specialist Periodical Report is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments and current opinion in the applications and theory of chemical modelling. The topics covered are wide ranging with authors writing on clusters to modelling nanotubes and dynamics. Containing both comprehensive and critical reviews, this volume is an essential resource and convenient reference for any research group active in the field or chemical sciences library.
  table of contents: Preface; Toward accurate coarse-graining approaches for protein and membrane simulations; Chemical bonding in solids: recovering chemical concepts in the realm of infinite periodic structures; Vibrational quantum dynamics at metallic surfaces; Theoretical studues of supercapcitors; Nanotubes with well-defined structure: imogolites; Application of DFT modeling in Fischer-Tropsch synthesis over Co-based catalysts; Structure prediction and its applications in computational materials design; Ab initio global optimization of clusters; Nitrogen- and phosphine-binding ligands in interaction with gold atoms, clusters, nanoparticles and surfaces
  note: editors: Michael Springborg, Jan-Ole Joswig.
  subject:
    topic: Molecules
    topic: Models
  subject:
    topic: Molecules
    topic: Models
  classification: QD480
  classification: 541/.22015118
  related item:
    title info:
      title: Specialist periodical report
  identifier: 1782622705
  identifier: 9781782622703
  identifier: 9781782621157
  identifier: 3915:3793 Royal Society of Chemistry
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: UKRSC
    record creation date: 151210
    record change date: 20210304162141.0
    record identifier: in00004358294
    language of cataloging:
      language term: eng