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: Reviews in computational chemistry
    part number: Volume 32
  name:
    name part: Parill, Abby L.
    role:
      role term: editor.
  name:
    name part: Lipkowitz, Kenny B.
    role:
      role term: editor.
  type of resource: text
  genre: bibliography
  origin info:
    place:
      place term: nju
    date issued: 2022
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource.
  abstract: REVIEWS IN COMPUTATIONAL CHEMISTRY THE LATEST VOLUME IN THE REVIEWS IN COMPUTATIONAL CHEMISTRY SERIES, THE INVALUABLE REFERENCE TO METHODS AND TECHNIQUES IN COMPUTATIONAL CHEMISTRY Reviews in Computational Chemistry reference texts assist researchers in selecting and applying new computational chemistry methods to their own research. Bringing together writings from leading experts in various fields of computational chemistry, V olume 32 covers topics including global structure optimization, time-dependent density functional tight binding calculations, non-equilibrium self-assembly, cluster prediction, and molecular simulations of microphase formers and deep eutectic solvents. In keeping with previous books in the series, Volume 32 uses a non-mathematical style and tutorial-based approach that provides students and researchers with easy access to computational methods outside their area of expertise. The chapters comprising Volume 32 are connected by two themes: methods that can be broadly applied to a variety of systems, and special considerations required when modeling specific system types. Each in-depth chapter contains background and theory, strategies for using the methods correctly, mini-tutorials and best practices, and critical literature reviews highlighting advanced applications. Essential reading for both newcomers and experts in the area of molecular modeling, this state-of-the-art resource: Covers topics such as non-deterministic global optimization (NDGO) approaches and excited-state dynamics calculations Contains a detailed overview of deep eutectic solvents (DESs) and simulation methods Presents methodologies for investigating chemical systems that form microphases with periodic morphologies such as lamellae and cylinders Features step-by-step tutorials on applying techniques to probe and understand the chemical dynamics exhibited in a system Includes detailed subject indices on each volume in the series and up-to-date compendiums of molecular modeli…
  table of contents: Front Matter -- Non-Deterministic Global Structure Optimization: An Introductory Tutorial / Bernd Hartke -- Density Functional Tight Binding Calculations for Probing Electronic-Excited States of Large Systems / Sharma SRKC Yamijala, Ma Belén Oviedo, Bryan M Wong -- Advances in the Molecular Simulation of Microphase Formers / Patrick Charbonneau, Kai Zhang -- MOLECULAR SIMULATIONS OF DEEP EUTECTIC SOLVENTS: A PERSPECTIVE ON STRUCTURE, DYNAMICS, AND PHYSICAL PROPERTIES / Shalini J Rukmani, Brian W Doherty, Orlando Acevedo, Coray M Colina -- Index
  note: edited by Abby L. Parrill, Kenny B. Lipkowitz.
  note: Includes bibliographical references and index.
  subject:
    topic: Chemistry
    topic: Data processing
  subject:
    topic: Chemistry
    topic: Mathematics
  subject:
    topic: Cheminformatics
  subject:
    topic: Chimio-informatique
  subject:
    topic: Chemistry
    topic: Data processing
  subject:
    topic: Chemistry
    topic: Mathematics
  classification: QD39.3.E46
  classification: 542/.85
  related item:
    title info:
      title: Reviews in computational chemistry
  identifier: 9781119625933
  identifier: 1119625939
  identifier: 9781119625940
  identifier: 1119625947
  identifier: 9781119625896 (hbk.)
  identifier: 9781119625940 Wiley
  identifier: 9781119625896 O'Reilly Media
  identifier: https://proxy.library.tamu.edu/login
  record info:
    record content source: DG1
    record creation date: 220307
    record change date: 20260129223555.4
    record identifier: in00004670507
    language of cataloging:
      language term: eng