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: Modeling the hydrogen bond
    sub title: developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993
  name:
    name part: Smith, Douglas A.
    name part: 1959-
  name:
    name part: American Chemical Society
    name part: Division of Computers in Chemistry.
  name:
    name part: American Chemical Society
    name part: Meeting
    name part: (206th : 1993 : Chicago, Ill.)
  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, DC
    publisher: American Chemical Society
    date issued: 1994
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource (x, 300 pages) : illustrations
  table of contents: A brief history of the hydrogen bond / Douglas A. Smith -- Computation of intermolecular interactions with a combined quantum mechanical and classical approach / Jiali Gao -- Inclusion of explicit solvent molecules in a self-consistent-reaction field model of solvation / T.A. Keith and M.J. Frisch -- Effect of hydrogen bonding on molecular electrostatic potential / M. Dominic Ryan -- Competing intra- and intermolecular hydrogen bonds for organic solutes in aqueous solution / Peter I. Nagy, Graham J. Durant, and Douglas A. Smith -- Energetics and structure in model neutral, anionic, and cationic hydrogen-bonded complexes : combined ab initio SCF/MP2 supermolecular, density functional, and molecular mechanics investigation / Nohad Gresh, Martin Leboeuf, and Dennis Salahub -- SAM1 : general description and performance evaluation for hydrogen bonds / Andrew J. Holden and Earl M. Evleth -- Search for analytical functions to simulate proton transfers in hydrogen bonds / Steve Scheiner and Xiaofeng Duan -- Effective fragement method for modeling intermolecular hydrogen-bonding effects on quantum mechanical calculations / Jan H. Jensen [and others] -- Modeling the hydrogen bond with transferable atom equivalents / Curt M. Breneman [and others] -- Analysis of hydrogen bonding and stability of protein secondary structures in molecular dynamics simulation / S. Vijayakumar [and others] -- Unusual cross-strand hydrogen bonds in oligopurine-oligopyrimidine duplexes : computer graphics presentations of hydrogen bonds in DNA molecular dynamics simulation / Masayuki Shibata and Theresa Julia Zielinski -- STRIPS : an algorithm for generating two-dimensional hydrogen-bond topology diagrams for proteins / G. Ravishanker, S. Vijayakumar, and D.L. Beveridge -- Role of specific intermolecular interactions in modulating spectroscopic properties of photoreactive compounds bound to proteins / Marshall G. Cory, Jr., Nigel G.J. Richards, and Michael C. Zerner -- Comparisons of hydrogen bonding…
  note: Douglas A. Smith, editor.
  note: Title from PDF title page (ACS publications, viewed September 1, 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 indexes.
  subject:
    topic: Hydrogen bonding
    topic: Simulation methods
    genre: Congresses
  subject:
    topic: Liaisons hydrogène
    topic: Méthodes de simulation
    genre: Congrès
  subject:
    topic: SCIENCE
    topic: Chemistry
    topic: Physical & Theoretical
  subject:
    topic: Hydrogen bonding
    topic: Simulation methods
  subject:
    topic: Waterstofbruggen
  classification: QD461 .M5964 1993
  classification: 541.2/24
  classification: 35.11
  related item:
    title info:
      title: Modeling the hydrogen bond
    name:
      name part: American Chemical Society. Meeting (206th : 1993 : Chicago, Ill.).
    origin info:
      publisher: Washington, DC : American Chemical Society, 1994
    identifier: (DLC) 94031645
    identifier: (OCoLC)30914637
  related item:
    title info:
      title: ACS symposium series ; 569
  identifier: 9780841214705
  identifier: 0841214700
  identifier: 0841229813
  identifier: 9780841229815
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: MUU
    record creation date: 090901
    record change date: 20241009195904.5
    record identifier: in00005505926
    language of cataloging:
      language term: eng