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

Format:

Book

Author/Creator:

Datta, Sambhu N.

Trindle, Carl, author.

Illas, Francesc, author.

Series:

Gale eBooks

Language:

English

Subjects (All):

Magnetochemistry.

Molecular orbitals.

Molecules--Magnetic properties.

Molecules.

Physical Description:

1 online resource (x, 335 pages) : illustrations (some color)

Place of Publication:

London : Imperial College Press, [2014]

Language Note:

English

Summary:

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

Contents:

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.

Notes:

Description based upon print version of record.

Includes bibliographical references and index.

Description based on print version record.

ISBN:

9781908977229

1908977221

OCLC:

869905707