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: Transition state modeling for catalysis
    sub title: developed from a symposium sponsored by the Division of Computers in Chemistry at the 215th National Meeting of the American Chemical Society, Dallas, Texas, March 29-April 2, 1998
  name:
    name part: Truhlar, Donald G.
    name part: 1944-
  name:
    name part: Morokuma, K. (Keiji)
    name part: 1934-2017
  name:
    name part: American Chemical Society
    name part: Division of Computers in Chemistry.
  name:
    name part: American Chemical Society
    name part: Meeting
    name part: (215th : 1998 : Dallas, Tex.)
  type of resource: text
  genre: bibliography
  genre: conference publication
  genre: Electronic books.
  genre: Conference papers and proceedings
  origin info:
    place:
      place term: dcu
    place:
      place term: Washington, D.C
    publisher: American Chemical Society
    date issued: ©1999
    date issued: 1999
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource (xv, 521 pages) : illustrations (some color)
  table of contents: Quantum catalysis : the modeling of catalytic transition states / Michael B. Hall, Peter Margl, Gabor Náray-Szabó, Vern L. Schramm, Donald G. Truhlar, Rutger A. van Santen, Arieh Warshel, and Jerry L. Whitten -- Performance of density functional for transition states / D.R. Salahub, S. Chrétien, A. Milet, and E.I. Proynov -- Transition state modeling of asymmetric epoxidation catalysts / K.N. Houk, Jian Liu, and Thomas Strassner -- Transition states in catalysis and biochemistry / Margareta R.A. Blomberg and Per E.M. Siegbahn -- Enzymes, abzymes, chemzymes-theozymes? / Claudia Müller, Li-Hsing Wang, and Hendrik Zipse -- Solvent as catalyst : computational studies of organic reactions in solution / Dongchul Lim, Corky Jenson, Matthew P. Repasky, and William L. Jorgensen -- Molecular reaction modeling from ab-initio molecular dynamics / Peter E. Blöchl, Hans Martin Senn, and Antonio Togni -- Transition states for proton transfer reactions in late transition metal chemistry and catalysis : [sigma]-bond metathesis pathways / A. Dedieu, F. Hutscka, and A. Milet -- Reaction mechanisms of transition metal catalyzed processes / Christian Boehme, Stefan Dapprich, Dirk Deubel, Ulrich Pidun, Martin Stahl, Ralf Stegmann, and Gernot Frenking -- Catalysis of the hydrosilation and bis-silylation reactions / Brett M. Bode, Farhang Raaii, and Mark S. Gordon -- Theoretical studies of inorganic and organometallic reaction mechanisms 13 : methane, ethylene, and acetylene activation at a cationic iridium center / Shuqiang Niu, Douglas L. Strout, Snežana Zarić, Craig A. Bayse, and Michael B. Hall -- Transition states for oxidative addition to three-coordinate Ir(I) : H-H, C-H, C-C, and C-F bond activation processes / Karsten Krogh-Jespersen and Alan S. Goldman -- Molecular mechanics as a predictive tool in asymmetric catalysis / Per-Ola Norrby -- Combined QM/MM and ab initio molecular dynamics modeling of homogeneous catalysis / T.K. Woo, P.M. Margl, L. Deng, L. Cavallo, and T. Ziegler -…
  note: Donald G. Truhlar, editor, Keiji Morokuma, editor.
  note: Title from PDF title page (ACS publications, viewed August 24, 2009).
  note: Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002. http://purl.oclc.org/DLF/benchrepro0212 MiAaHDL
  note: digitized 2010 HathiTrust Digital Library committed to preserve pda MiAaHDL
  note: Includes bibliographical references and index.
  note: English.
  subject:
    topic: Catalysis
    topic: Computer simulation
    genre: Congresses
  subject:
    topic: Catalysis
    topic: Computer simulation
    topic: Congresses
  subject:
    topic: Catalyse
    topic: Simulation par ordinateur
    topic: Congrès
  subject:
    topic: Catalyse
    topic: Simulation par ordinateur
    genre: Congrès
  subject:
    topic: SCIENCE
    topic: Chemistry
    topic: Physical & Theoretical
  subject:
    topic: Catalysis
    topic: Computer simulation
  subject:
    topic: Chemistry
  subject:
    topic: Physical Sciences & Mathematics
  subject:
    topic: Physical & Theoretical Chemistry
  classification: QD505 .T735 1999
  classification: 541.3/95/0113
  related item:
    title info:
      title: Transition state modeling for catalysis
    origin info:
      publisher: Washington, D.C. : American Chemical Society, ©1999
    identifier: (DLC) 98053092
    identifier: (OCoLC)40423643
  related item:
    title info:
      title: ACS symposium series ; 721
  identifier: 9780841217096
  identifier: 0841217092
  identifier: 0841236100
  identifier: 9780841236103
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: MUU
    record creation date: 090824
    record change date: 20241009195845.4
    record identifier: in00005505673
    language of cataloging:
      language term: eng