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: Applying Molecular and Materials Modeling
  name:
    name part: Westmoreland, Phillip R.
    role:
      role term: creator
  name:
    name part: Kollman, Peter A.
  name:
    name part: Chaka, Anne M.
  name:
    name part: Cummings, Peter T.
  name:
    name part: Morokuma, Keiji.
  name:
    name part: Neurock, Matthew.
  name:
    name part: Stechel, Ellen B.
  name:
    name part: Vashishta, P.
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  genre: Electronic books.
  origin info:
    place:
      place term: ne
    date issued: 2002
    issuance: monographic
  language:
    language term: eng
  physical description:
    reformatting quality: access
    form: remote
    extent: 1 online resource (xxiv, 573 pages)
  abstract: Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
  note: by Phillip R. Westmoreland, Peter A. Kollman, Anne M. Chaka, Peter T. Cummings, Keiji Morokuma, Matthew Neurock, Ellen B. Stechel, Priya Vashishta.
  note: Electronic resource.
  subject:
    topic: Chemistry
  subject:
    topic: Chemistry, Inorganic
  subject:
    topic: Chemical engineering
  subject:
    topic: Pharmacy
  subject:
    topic: Chemical engineering
  subject:
    topic: Chemistry
  subject:
    topic: Chemistry, Inorganic
  subject:
    topic: Pharmacy
  classification: QD39.3.E46
  classification: 541.0285
  identifier: 9789401707657 (electronic bk.)
  identifier: 9401707650 (electronic bk.)
  identifier: 9789048161348
  identifier: 9048161347
  identifier: 9401707650
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: AU@
    record creation date: 130321
    record change date: 20260422154114.8
    record identifier: in00003565114
    language of cataloging:
      language term: eng