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: Volume 15
  name:
    name part: Dixon, David A.
    role:
      role term: editor.
  name:
    name part: ScienceDirect (Online service)
  type of resource: text
  genre: bibliography
  genre: Electronic books.
  origin info:
    place:
      place term: ne
    date issued: 2019
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource
  abstract: Annual Reports in Computational Chemistry, Volume 15, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series 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. Key Features: Includes timely discussions on quantum chemistry and molecular mechanics; Covers force fields, chemical education, and more; Presents the latest in chemical education and applications in both academic and industrial settings. Readership: Researchers and students interested in computational chemistry as well as computational chemists and chemists interested in using computational approaches to address chemical problems. --
  table of contents: Section A: Quantum chemistry : methodology: 1. Numerical evidence invalidating finite-temperature many-body perturbation theory / Punit K. Jha, So Hirata -- 2. Converging finite-temperature many-body perturbation theory in the grand canonical ensemble that conserves the average number of electrons / So Hirata, Punit K. Jha -- 3. Spectroscopy of linear and circular polarized light with the exact semiclassical light-matter interaction / Marjan Khamesian, Ignacio Fdez. Galván, Mickaël G. Delcey, Lasse Kragh Sørensen, Roland Lindh.
  table of contents: Section B: Quantum chemistry : high performance computing developments: 4. Tensor representations and symmetry in many-electron wave functions / T. Daniel Crawford, Roberto Di Remigio.
  table of contents: Section C: Quantum chemistry : nanoparticles: 5. Structures and evolution of metal oxide nanoclusters : bottom-up genetic algorithm and fragment-based energy decomposition model / Mingyang Chen.
  table of contents: Section D: Quantum chemistry : applications: 6. Computational vibrational spectroscopy for the detection of molecules in space / Ryan C. Fortenberry, Timothy J. Lee -- 7. A comparison of methods for theoretical photochemistry: Applications, successes and challenges / Nicholas S. Hill, Michelle L. Coote -- 8. Mechanism of oxide-catalyzed selective oxidation : a computational perspective / Shenggang Li, David A. Dixon.
  note: edited by David A. Dixon.
  note: Includes bibliographical references.
  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: Chemistry
    topic: Computer simulation
  subject:
    topic: Chemistry
    topic: Data processing
  classification: QD455.3.E4 A56 2019eb
  classification: 542/.85
  related item:
    title info:
      title: ISSN
  identifier: 0128171197
  identifier: 9780128171202
  identifier: 9780128171196
  identifier: 0128171200
  identifier: 9780128171202 Ingram Content Group
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: OPELS
    record creation date: 191024
    record change date: 20260327163422.0
    record identifier: in00005765335
    language of cataloging:
      language term: eng