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) & Francesc Illas (Universitat de Barcelona, Spain).
Material type:![Text](/opac-tmpl/lib/famfamfam/BK.png)
- text
- computer
- online resource
- 9781908977229
- 1908977221
- 541/.378 23
- QD591 .D38 2013eb
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OPJGU Sonepat- Campus | E-Books EBSCO | Available |
Includes bibliographical references 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.
Print version record.
Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials. This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, an.
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