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Advances in technology are making the business and manufacturing environment increasingly complex. Standards can help us cope with this complexity. Given the strategic importance of computers in the economies of the industrial world, it is fitting that one of the most significant commercial stories of our time is the standardization of computer communications. Quite frankly, when we joined with other computer users to launch this effort we didn't predict its scope and we should have done. public visibility. In restrospect, I guess The computer assisted technologies looming on the horizon offer some of the greatest functional and productivity tools available to improve business operations. Ho...
Advances in Chemical Physics, Volume 160
The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This volume explores the following topics: Thermodynamic Perturbation Theory for Associating Molecules Path Integrals and Effective Potentials in the Study of Monatomic Fluids at Equilibrium Sponteneous Symmetry Breaking in Matter Induced by Degeneracies and Pseudogeneracies Mean-Field Electrostatics Beyond the Point-Charge Description First Passage Processes in Cellular Biology Theoretical Modeling of Vibrational Spectra and Proton Tunneling in Hydroen-Bonded Systems
Recent Advances in Biophoton Research and Its Applications
Biophoton emission now belongs to a topical field of modern science: It concerns a weak light emision from biological systems. Such molecular events are clearly compatible with collective phenomena as shown by recent developments in the life sciences such as the chaos theory. This book is concerned with the ?optical window? of biological interactions and in view of their correlations to many biological functions they provide a powerful, non-invasive tool of analysing biological systems. Topics include food science, pollution, efficacy of drugs including the treatment of cancer and immune diseases, and communication phenomena such as consciousness.The collection of articles in this book covers the historical background, the physics of biophoton emission, those biological phenomena which show evidence of a ?holistic? character, and finally discusses applications and biological evolution. This volume serves to bring researchers up-to-date on the subject and draws attention to the many exciting findings that are widely scattered in the scientific literature.
Beyond Born-Oppenheimer
INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS. The Born-Oppenheimer approximation has been fundamental to calculation in molecular spectroscopy and molecular dynamics since the early days of quantum mechanics. This is despite well-established fact that it is often not valid due to conical intersections that give rise to strong nonadiabatic effects caused by singular nonadiabatic coupling terms (NACTs). In Beyond Born-Oppenheimer, Michael Baer, a leading authority on molecular scattering theory and electronic nonadiabatic processes, addresses this deficiency and introduces a rigorous approach--diabatiz...
Molecules in Physics, Chemistry, and Biology
Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Recent Progress in Coupled Cluster Methods
I feel very honored that I have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970. At the beginning of the seventies the rst ab initio calcu- tion were carried out. At that time speed and memory of computers were very limited compared to today’s standards. Moreover, the size of one-electron bases employed was small, so that it was only possible to achieve an orientation in methodical aspects rather than to generate new signi cant results. Extensive use of the coupled-cluster method started at the...
Theoretical Chemistry: Volume 2
This product is not available separately, it is only sold as part of a set. There are 750 products in the set and these are all sold as one entity.
Advanced Theories and Computational Approaches to the Electronic Structure of Molecules
That there have been remarkable advances in the field of molecular electronic structure during the last decade is clear not only to those working in the field but also to anyone else who has used quantum chemical results to guide their own investiga tions. The progress in calculating the electronic structures of molecules has occurred through the truly ingenious theoretical and methodological developments that have made computationally tractable the underlying physics of electron distributions around a collection of nuclei. At the same time there has been consider able benefit from the great advances in computer technology. The growing sophistication, declining costs and increasing accessibi...
Chemical Modelling
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed...
The Jahn-Teller Effect
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.
