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Theoretical and computational aspects of magnetic organic molecules /by Sambhu N. Datta (Indian Institute of Technology, Bombay, India), Carl O. Trindle (University of Virginia, USA) and Francesc Illas (Universitat de Barcelona, Spain).

By: Contributor(s): Material type: TextTextPublication details: London : Imperial College Press, (c)2013.Description: 1 online resourceContent type:
  • text
Media type:
  • computer
Carrier type:
  • online resource
ISBN:
  • 9781908977229
Subject(s): Genre/Form: LOC classification:
  • QD591 .T446 2013
Online resources: Available additional physical forms:
Contents:
Organic molecules, radicals, and spin states -- Theoretical methodologies -- Molecular orbital description of magnetic organic systems -- Qualitative methods for predicting molecular spin states -- Quantum chemical calculations: structural trends -- Strongly coupled magnetic molecules -- Photomagnetic effects -- Transition metal complexes -- Computational studies of inorganic clusters and solid -- Systems -- A look ahead.
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Includes bibliographies and index.

Introduction to magnetism -- Organic molecules, radicals, and spin states -- Theoretical methodologies -- Molecular orbital description of magnetic organic systems -- Qualitative methods for predicting molecular spin states -- Quantum chemical calculations: structural trends -- Strongly coupled magnetic molecules -- Photomagnetic effects -- Transition metal complexes -- Computational studies of inorganic clusters and solid -- Systems -- A look ahead.

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