An edition of Electronic structure modeling (2008)

Electronic Structure Modeling

Connections Between Theory and Software

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Last edited by MARC Bot
December 14, 2022 | History
An edition of Electronic structure modeling (2008)

Electronic Structure Modeling

Connections Between Theory and Software

  • 0 Ratings
  • 0 Want to read
  • 0 Currently reading
  • 0 Have read

Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations. The text illustrates theoretical methods with numerical detail and model calculations. It clarifies what these modeling programs can do, their known pathologies, which ones are suited for specific kinds of projects, and how to reproduce them using the accompanying PC-LOBE bundled software. While elucidating gradient-based molecular structure optimization, the text reviews notable successes and unsolved problems or failures in electronic structure modeling. It also describes the theory and computation of circular dichroism and optical rotation, including magnetically induced optical phenomena. Offering an accessible introduction to computational methods, Electronic Structure Modeling permits users to practice modeling with a full understanding of the algorithms that support their calculations.

Publish Date
Publisher
CRC, CRC Press
Language
English
Pages
416

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Previews available in: English

Edition Availability
Cover of: Electronic Structure Modeling
Electronic Structure Modeling
2019, Taylor & Francis Group
in English
Cover of: Electronic Structure Modeling
Electronic Structure Modeling: Connections Between Theory and Software
2008, Taylor & Francis Group
in English
Cover of: Electronic Structure Modeling
Electronic Structure Modeling: Connections Between Theory and Software
2008, Taylor & Francis Group
in English
Cover of: Electronic structure modeling
Electronic structure modeling: connections between theory and software
2008, CRC Press
in English
Cover of: Electronic Structure Modeling
Electronic Structure Modeling: Connections Between Theory and Software
May 1, 2008, CRC, CRC Press
Hardcover in English
Cover of: Electronic Structure Modeling
Electronic Structure Modeling
2008, Taylor and Francis
Electronic resource in English

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Book Details


Classifications

Library of Congress
QC176.8.E4, QC176.8.E4 T75 2008, QC176.8.E4 T75 2008eb

The Physical Object

Format
Hardcover
Number of pages
416

ID Numbers

Open Library
OL11560425M
ISBN 10
0849384060
ISBN 13
9780849384066
LCCN
2008010876
OCLC/WorldCat
231631109, 144520990
Library Thing
7099209

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History

Download catalog record: RDF / JSON
December 14, 2022 Edited by MARC Bot import existing book
July 31, 2019 Edited by MARC Bot associate edition with work OL9670572W
July 22, 2019 Edited by MARC Bot remove fake subjects
December 3, 2010 Edited by Open Library Bot Added subjects from MARC records.
December 11, 2009 Created by WorkBot add works page