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Exploring chemistry with electronic structure methods / James B. Foresman, Æleen Frisch.

By: Contributor(s): Material type: TextTextPublisher: Wallingford, CT : Gaussian, Inc., 2015Copyright date: ©2015Edition: Third editionDescription: xv, 531 pages : illustrations (chiefly color), portraits (some color) ; 25 cmContent type:
  • text
  • still image
Media type:
  • unmediated
Carrier type:
  • volume
ISBN:
  • 9781935522034
  • 1935522035
Subject(s): DDC classification:
  • 542/.85 23
LOC classification:
  • QD39.3.E46 F67 2015 F67 2015
Online resources:
Contents:
Using Computations in Chemical Research -- Getting Started with Calculations -- Geometry Optimizations -- Predicting Chemical Properties -- Modeling Chemistry in Solution -- Studying Reaction Mechanisms -- Predicting Spectra -- Modeling Excited States -- Advanced Modeling Techniques -- The Theoretical Background -- Molecule index.
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Holdings
Item type Current library Call number Status Date due Barcode
Books Books 2nd Floor Main Library General stacks QD39.3.E46 F67 2015 (Browse shelf(Opens below)) Available 103391

Includes bibliographical references (pages 503-522) and index.

Using Computations in Chemical Research -- Getting Started with Calculations -- Geometry Optimizations -- Predicting Chemical Properties -- Modeling Chemistry in Solution -- Studying Reaction Mechanisms -- Predicting Spectra -- Modeling Excited States -- Advanced Modeling Techniques -- The Theoretical Background -- Molecule index.

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