Exploring chemistry with electronic structure methods / James B. Foresman, Æleen Frisch.
By: Foresman, James B [author.].
Contributor(s): Frisch, AEleen [author.].
Edition: Third edition.Description: xv, 531 pages : illustrations (chiefly color), portraits (some color) ; 25 cm.ISBN: 9781935522034; 1935522035.Subject(s): Chemistry -- Data processing | Chemical models | Chemical models | Chemistry -- Data processingDDC classification: 542/.85 Online resources: Book's companion web site.
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.
| Item type | Current location | Call number | Status | Date due | Barcode | Item holds |
|---|---|---|---|---|---|---|
| Book | Skoltech library Shelves | QD39.3.E46 F67 2015 (Browse shelf) | Available | 2000006584 |
Total holds: 0
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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