Diatomic Interaction
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Diatomic Interaction Potential Theory
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Author : Jerry Goodisman
language : en
Publisher: Academic Press
Release Date : 2013-10-22
Diatomic Interaction Potential Theory written by Jerry Goodisman and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Science categories.
Diatomic Interaction Potential Theory, Volume 2: Applications discusses the variety of applicable theoretical material and approaches in the calculations for diatomic systems in their ground states. The volume covers the descriptions and illustrations of modern calculations. Chapter I discusses the calculation of the interaction potential for large and small values of the internuclear distance R (separated and united atom limits). Chapter II covers the methods used for intermediate values of R, which in principle means any values of R. The Hartree-Fock and configuration interaction schemes described here have been the most used of all the methods. Semiempirical theories and methods constitute the subject of the last chapter. The book will be of value to physicists and students of physics.
Intermolecular Interactions In Crystals
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Author : Juan Novoa
language : en
Publisher: Royal Society of Chemistry
Release Date : 2017-10-27
Intermolecular Interactions In Crystals written by Juan Novoa and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-27 with Science categories.
This new book brings together the latest information on intermolecular bonding within molecular crystals, providing a very useful introductory text for graduates.
Advances In Quantum Chemistry
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Author :
language : en
Publisher: Academic Press
Release Date : 1985-03-29
Advances In Quantum Chemistry written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1985-03-29 with Science categories.
Advances in Quantum Chemistry
The Smallest Biomolecules Diatomics And Their Interactions With Heme Proteins
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Author : Abhik Ghosh
language : en
Publisher: Elsevier
Release Date : 2011-10-13
The Smallest Biomolecules Diatomics And Their Interactions With Heme Proteins written by Abhik Ghosh and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-10-13 with Science categories.
This is not a book on NO biology, nor about hemoglobin, nor about heme-based sensors per se. Of course, it covers all these topics and more, but above all, it aims at providing a truly multidisciplinary perspective of heme-diatomic interactions. The overarching goal is to build bridges among disciplines, to bring about a meeting of minds. The contributors to this book hail from diverse university departments and disciplines – chemistry, biochemistry, molecular biology, microbiology, zoology, physics, medicine and surgery, bringing with them very different views of heme-diatomic interactions. The hope is that the juxtaposition of this diversity will lead to increased exchanges of ideas, approaches, and techniques across traditional disciplinary boundaries. The authors represent a veritable Who's Who of heme protein research and include John Olson, Tom Spiro, Walter Zumft, F. Ann Walker, Teizo Kitagawa, W. Robert Scheidt, Pat Farmer, Marie-Alda Gilles-Gonzalez, and many other equally distinguished scientists. - Extremely distinguished list of authors - Multidisciplinary character – equally suitable for chemists and biochemists - Covers the hottest topics in heme protein research: sensors, NO biology, new roles of hemoglobin, etc.
Molecular Interactions
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Author : David A. Micha
language : en
Publisher: John Wiley & Sons
Release Date : 2020-01-02
Molecular Interactions written by David A. Micha and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-01-02 with Science categories.
A modern, comprehensive text and reference describing intermolecular forces, this book begins with coverage of the concepts and methods for simpler systems, then moves on to more advanced subjects for complex systems – emphasizing concepts and methods used in calculations with realistic models and compared with empirical data. Contains applications to many physical systems and worked examples Proceeds from introductory material to advanced modern treatments Has relevance for new materials, biological phenomena, and energy and fuels production
Electron Dynamics In Molecular Interactions Principles And Applications
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Author : Frank Hagelberg
language : en
Publisher: World Scientific
Release Date : 2013-12-23
Electron Dynamics In Molecular Interactions Principles And Applications written by Frank Hagelberg and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-12-23 with Science categories.
This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes — an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom.Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electronic problem in quantum molecular dynamics, contrasting them with more traditional schemes. The presented models are derived from their roots in basic quantum theory, their interrelations are discussed, and their characteristic applications to concrete chemical systems are outlined. This volume also includes an assessment of the present status of electron dynamics and a report on novel developments to meet the current challenges in the field.Further, this monograph responds to a need for a systematic comparative treatise on nonadiabatic theories of quantum molecular dynamics, which are of considerably higher complexity than the more traditional adiabatic approaches and are steadily gaining in importance. This volume addresses a broad readership ranging from physics or chemistry graduate students to specialists in the field of theoretical quantum dynamics.
Infrared Spectroscopy Of Diatomics For Space Observation
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Author : Pierre-Richard Dahoo
language : en
Publisher: John Wiley & Sons
Release Date : 2018-01-03
Infrared Spectroscopy Of Diatomics For Space Observation written by Pierre-Richard Dahoo and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-03 with Science categories.
This book describes different theoretical models developed to identify the near and mid infrared (IR) spectra of diatomic molecules isolated in the gas phase or subjected to environmental constraints, useful for the study of environmental sciences, planetology and astrophysics. The applications presented show how molecular interactions modify the near and mid IR spectra of isolated diatomics under the effect of pressure, a nano-cage (substitution site, Clathrate, Fullerene, Zeolite) or surfaces, to identify the characteristics of the perturbing environment.
Theory Of Slow Atomic Collisions
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Author : E.E. Nikitin
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Theory Of Slow Atomic Collisions written by E.E. Nikitin and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The theory of atom-molecule collisions is one of the basic fields in chemi cal physics. Its most challenging part - the dynamics of chemical reactions - is as yet unresolved, but is developing very quickly. It is here a great help to have an analysis of those parts of collision theory which are already complete, a good example being the theory of atomic collisions in process es specific to chemical physics. It has long been observed that many notions of this theory can also be applied successfully to reactive and unreactive molecular collisions. More over, atomic collisions often represent a touchstone in testing approaches proposed for the solution of more complicated problems. Research on the theory of slow atomic collisions carried out at the Moscow Institute of Chemical Physics has been based on just these ideas. A general viewpoint concerning the setting up and representation of the theory came out of these studies, and appeared to be useful in studying complicated systems as well. It underlies the representation of the theory of slow atomic colli sions in this book.
Interaction Induced Electric Properties Of Van Der Waals Complexes
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Author : Victor N. Cherepanov
language : en
Publisher: Springer
Release Date : 2016-11-16
Interaction Induced Electric Properties Of Van Der Waals Complexes written by Victor N. Cherepanov and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-16 with Science categories.
This brief explains the theory of the interaction-induced electrical properties of van der Waals complexes. It focuses on the interaction-induced electrical dipole moments, polarizabilities and first hyperpolarizabilities of atom-atomic, atom-molecular and molecular-molecular van der Waals complexes.
Electronic Structure And Number Theory
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Author : Jan C.A. Boeyens
language : en
Publisher: Springer
Release Date : 2013-01-26
Electronic Structure And Number Theory written by Jan C.A. Boeyens and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-26 with Science categories.
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed.