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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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Item type Current library Call number Status 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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