TY - BOOK AU - Datta,Sambhu N. AU - Trindle,Carl AU - Illas,Francesc TI - Theoretical and computational aspects of magnetic organic molecules SN - 9781908977229 AV - QD591 .D38 2013eb U1 - 541/.378 23 PY - 2013/// CY - London PB - Imperial College Press KW - Magnetochemistry KW - Molecular orbitals KW - Molecules KW - Magnetic properties KW - Magnétochimie KW - Orbitales moléculaires KW - SCIENCE KW - Chemistry KW - Physical & Theoretical KW - bisacsh KW - fast KW - Electronic books N1 - 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 N2 - 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 UR - https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=689607 ER -