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: Isaiah Shavitt
    sub title: A Memorial Festschrift from Theoretical Chemistry Accounts
  name:
    name part: Shepard, Ron.
    role:
      role term: editor.
  name:
    name part: Pitzer, Russell M.
    role:
      role term: editor.
  name:
    name part: Dunning, Thom.
    role:
      role term: editor.
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  origin info:
    place:
      place term: gw
    date issued: 2016
    edition: 1st ed. 2016.
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: electronic
    form: electronic resource
    reformatting quality: access
    form: remote
    extent: VII, 359 p. online resource.
  abstract: In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.
  table of contents: From the Contents: The Second Order Ehrenfest Method A Practical CASSCF Approach to Coupled Electron-Nuclear Dynamics -- Anchoring the Potential Energy Surface for the Br + H2O → HBr + OH Reaction -- Isaiah Shavitt - Computational Chemistry Pioneer.-Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method -- Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning.
  note: edited by Ron Shepard, Russell M. Pitzer, Thom Dunning.
  subject:
    topic: Chemistry
  subject:
    topic: Physical chemistry
  subject:
    topic: Chemistry, Physical and theoretical
  subject:
    topic: Atomic structure
  subject:
    topic: Molecular structure
  subject:
    topic: Spectra
  subject:
    topic: Chemistry
  subject:
    topic: Theoretical and Computational Chemistry
  subject:
    topic: Atomic/Molecular Structure and Spectra
  subject:
    topic: Physical Chemistry
  classification: QD450-801
  classification: 541.2
  related item:
    title info:
      title: Springer eBooks
  related item:
    title info:
      title: Highlights in Theoretical Chemistry, 9
  identifier: 9783662481486
  identifier: http://dx.doi.org/10.1007/978-3-662-48148-6
  record info:
    record creation date: 151015
    record change date: 20170407151113.0
    record identifier: 978-3-662-48148-6