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Molecular orbitals
Authors: --- ---
ISBN: 3540055045 0387055045 3540368663 Year: 1971 Volume: 23 Publisher: Berlin Springer


Book
Theoretical and computational aspects of magnetic organic molecules
Authors: --- ---
ISBN: 1908977221 9781908977229 9781908977212 1908977213 Year: 2014 Publisher: London : Imperial College Press,

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Abstract

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


Book
Sigma molecular orbital theory
Authors: ---
ISBN: 0300011458 Year: 1970 Publisher: New Haven (Conn.): Yale university


Book
The calculation of molecular orbitals
Author:
ISBN: 047103181X Year: 1979 Publisher: New York (N.Y.): Wiley

Methods in molecular orbital theory
Author:
ISBN: 0135793831 Year: 1974 Publisher: Englewood Cliffs Prentice Hall


Book
Orbitales frontières
Author:
ISBN: 2759802833 1280961074 9786610961078 2759801950 1429472243 9781429472241 9782759802838 9781280961076 6610961077 9782759801954 Year: 2007 Publisher: Les Ulis Paris EDP Sciences CNRS éditions

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Abstract

This book offers a look into the field of Quantum Mechanics with respect to orbital perturbations at the atomic level. It takes the approach of studying perturbations in a more simplified fashion. "Orbital Frontiers" deals with the common problems associated with the nature of atomic uncertainties and reactions. It is presented in a simple and readable format. This book is intended for non-theoreticians and graduate students.

Frontier orbitals and reaction paths : selected papers of Kenichi Fukui
Authors: ---
ISBN: 128195568X 9786611955687 9812795847 9789812795847 9810222416 9789810222413 6611955682 Year: 1997 Publisher: Singapore ; River Edge, N.J. : World Scientific,

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Abstract

This book is a collection of selected papers on the Frontier Orbital Theory by Nobel prizewinner Kenichi Fukui (Chemistry 1981), with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.


Book
A theoretical approach to inorganic chemistry.
Author:
ISBN: 3540090738 0387090738 3642671195 3642671179 Year: 1979 Publisher: Berlin Springer

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