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The concepts of the Jahn-Teller effect and vibronic coupling are being applied to more and more systems in both chemistry and physics. Aspects of structural chemistry such as the distortion of the nuclear framework to a lower-symmetry conformation have received an increasing attention, as well as the dynamics on the coupled potential energy surfaces. The Jahn-Teller intersections are now recognized as prototype cases of conical intersections where the nuclear motion is known to be inherently nonadiabatic in nature and interchanges freely between the different potential energy surfaces. In the condensed phase especially, the significance of the Jahn-Teller effect has been increasingly appreci...
T. Ziegler: A Chronicle About the Development of Electronic Structure Theories for Transition Metal Complexes.- J. Linderberg: Orbital Models and Electronic Structure Theory.- J.S. and J.E. Avery: Sturmians and Generalized Sturmians in Quantum Theory.- B.T Sutcliffe: Chemistry as a “Manifestation of Quantum Phenomena” and the Born–Oppenheimer Approximation?- A.J. McCaffery: From Ligand Field Theory to Molecular Collision Dynamics: A Common Thread of Angular Momentum.- M. Atanasov, D. Ganyushin, K. Sivalingam and F. Neese: A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions.- R.S. Berry and B.M. Smirnov: The Phase Rule: Beyond Myopia to Understanding.
with contributions by numerous experts
The Indaba 5 meeting, held in South Africa during August 2006, examined the progress being made to achieve first-principle understanding of molecular science and confirmed the need to better understand the mysteries and magic of molecules. This book explores the common ground to guide chemists, biologists, crystallographers, spectroscopists and theorists towards painting a holistic picture of scientific endeavor.
The art of chemistry is to thoroughly understand the properties of molecular compounds and materials and to be able to prepare novel compounds with p- dicted and desirable properties. The basis for progress is to fully appreciate and fundamentally understand the intimate relation between structure and function. The thermodynamic properties (stability, selectivity, redox potential), reactivities (bond breaking and formation, catalysis, electron transfer) and electronic properties (spectroscopy, magnetism) depend on the structure of a compound. Nevertheless, the discovery of novel molecular compounds and materials with exciting prop- ties is often and to a large extent based on serendipity. Fo...
The Jahn-Teller effect continues to be a paradigm for structural instabilities and molecular dynamical processes. This volume provides a survey of the current Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.
In contrast to many other levels of language, there is as yet no comprehensive areal-linguistic description of the segmental phonological properties of the languages of Europe. To complement the synchronic picture of the languages of Europe, it is time to take stock of their phoneme inventories to provide an empirical basis for generalizations about the similarities and dissimilarities of the languages of Europe. The best way to visualize the areal phonology of Europe is that of the Phonological Atlas of Europe (Phon@Europe) which features the isoglosses of phonological phenomena on a plethora of maps. As a prequel to Phon@Europe, this study not only outlines the goals, methodology, sample, and theory of the project but also focuses on loan phonemes whose diffusion across the 210 doculects of the sample yields meaningful patterns. The patterns are indicative of recent processes of convergence which have transformed a diverse phonological mosaic into a superficially homogeneous linguistic area. The developments which have led to the present situation are traced back through the history of the sample languages.