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A chemist's guide to density functional theory / Wolfram Koch, Max C. Holthausen.

By: Contributor(s): Material type: TextPublisher: Weinheim : Wiley-VCH, 2002Edition: Second edition; Reprinted editionDescription: xiii, 294 pages : illustrations ; 25 cmContent type:
  • text
Media type:
  • unmediated
Carrier type:
  • volume
ISBN:
  • 3527303723 (pbk.)
  • 9783627303723
Subject(s): Genre/Form: DDC classification:
  • 541.28 KOC 22
Summary: Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.
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Cover image Item type Current library Home library Collection Shelving location Call number Materials specified Vol info URL Copy number Status Notes Date due Barcode Item holds Item hold queue priority Course reserves
Book - Borrowing Central Library First floor Baccah 541.28 KOC (Browse shelf(Opens below)) Available 000048991
Total holds: 0

Includes bibliographical references and index.

Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.

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