quantum mechanics of molecular structures

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Quantum Mechanics Of Molecular Structures

Author : Kaoru Yamanouchi
ISBN : 9783642323812
Genre : Science
File Size : 87. 2 MB
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At a level accessible to advanced undergraduates, this textbook explains the fundamental role of quantum mechanics in determining the structure, dynamics, and other properties of molecules. Readers will come to understand the quantum-mechanical basis for harmonic oscillators, angular momenta and scattering processes. Exercises are provided to help readers deepen their grasp of the essential phenomena.

Quantum Mechanics Of Molecular Rate Processes

Author : Raphael D. Levine
ISBN : 048640692X
Genre : Science
File Size : 28. 90 MB
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This survey of applications of the theory of collisions and rate processes to molecular problems explores collisions of molecules with internal structure, generalized Ehrenfest theorem, theory of reactive collisions, and role of symmetry. It also reviews partitioning technique, equivalent potentials and quasibound states, theory of direct reactions, more. 1969 edition.

Atoms In Molecules

Author : Richard F. W. Bader
ISBN : 0198558651
Genre : Science
File Size : 62. 1 MB
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The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It isthe purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties ofmatter at the atomic level, in the belief that the transformation of qualitative concepts into a qualitative theory will serve to deepen our understanding of chemistry.

Molecular Quantum Mechanics

Author : Peter W. Atkins
ISBN : 9780199541423
Genre : Science
File Size : 24. 6 MB
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This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.

Molek Lphysik Und Quantenchemie

Author : Hermann Haken
ISBN : 9783662088302
Genre : Science
File Size : 52. 25 MB
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Molekülphysik und Quantenchemie führt gemeinsam in die Grundlagen der Gebiete ein, wie es zum Verständnis der physikalischen Eigenschaften von Molekülen und der chemischen Bindung erforderlich ist. Aufbauend auf Grundkenntnissen der Atom- und Quantenphysik (von den gleichen Autoren) vermittelt es den Studenten der Physik, der Physikalischen Chemie und der Theoretischen Chemie die experimentellen und theoretischen Grundlagen. Die zweite Auflage geht neben neueren theoretischen Ansätzen auf aktuelle Entwicklungen ein wie hochauflösende Zweiphotonen-, Ultrakurzzeit-, und Photoelektronenspektroskopie, optische Untersuchung einzelner Moleküle in kondensierter Phase, Elektrolumineszenz und Leuchtdioden.

Teilchen Und Kerne

Author : Bogdan Povh
ISBN : 9783642974755
Genre : Science
File Size : 59. 18 MB
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Die Grundidee dieses einführenden Lehrbuchs besteht darin, eine einheitliche Darstellung von Kern- und Teilchenphysik aus experimenteller Sicht zu geben. Die Reduktion der komplex aufgebauten Materie der Atomkerne und Nukleonen auf wenige Grundbausteine und Wechselwirkungen ist seine erste Botschaft. Die Botschaft des zweiten Teils, der den Aufbau des Quarks über die Nukleonen zu den Kernen beschreibt, ist, daß Komplexität, die aus der Vielkörper-Wechselwirkung entsteht, immer mehr die Gesetzmäßigkeiten der zusammengesetzten Systeme bestimmt. Entstanden aus Vorlesungen an der Heidelberger Universität eignet sich dieses straff und klar abgefaßte, durch Übungsaufgaben ergänzte Lehrbuch gut als Begleittext zu einführenden Kursusvorlesungen an Hochschulen.

Quantum Mechanics In Physics And Chemistry With Applications To Biology

Author : RABI MAJUMDAR
ISBN : 9788120348820
Genre : Science
File Size : 53. 6 MB
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This book provides a comprehensive treatment of the principles and applications of quantum mechanics with equal emphasis on concept building and problem solving. The book follows an integrated approach to expose the students to applications of quantum mechanics in both physics and chemistry streams. A chapter is devoted to biological applications as well, to evince the interest of the students pursuing courses in Biotechnology and Bioinformatics. Such unique organization of the book makes it suitable for both Quantum Mechanics and Quantum Chemistry courses, where the common areas like molecular structure and spectroscopy are emphasized. The book, in its second edition, continues to serve as an ideal textbook for the first-year postgraduate students of both physics and chemistry as well as for senior undergraduate students pursuing honours courses in these disciplines. It has been thoroughly revised and enlarged with the introduction of a new chapter on “Quantum Statistics and Planck's Law of Black-Body Radiation”, some important sections in various chapters and more worked-out examples. The book helps students learn difficult concepts of quantum mechanics with simpler mathematics and intuitive language, but without sacrificing rigour. It has informal classroom type approach suitable for self-learning. Key Features • Gives about 200 worked-out examples and chapter-end problems with hints and answers related to different areas of modern science including biology. • Highlights important technological developments based on Quantum Mechanics, such as electron microscope, scanning tunnelling microscope, lasers, Raman spectroscopy and Nuclear Magnetic Resonance (NMR). • Provides adequate number of illustrations. • Includes detailed mathematical derivations separately in Appendices for a more rigorous approach.

Introduction To The Quantum World Of Atoms And Molecules

Author : Jens Peder Dahl
ISBN : 9810245653
Genre : Science
File Size : 31. 75 MB
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This invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree?Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text.

Fundamentals Of Quantum Chemistry

Author : J. E. House
ISBN : 0123567718
Genre : Science
File Size : 83. 36 MB
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This is a self-contained student-friendly introduction to the key concepts of quantum chemistry. The math is developed as needed and motivated by the concepts themselves. (Midwest).

Chemistry Quantum Mechanics And Reductionism

Author : H. Primas
ISBN : 9783662113141
Genre : Science
File Size : 86. 28 MB
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The purpose of this book is to provide a deeper insight into the modern theories of molecular matter. It incorporates the most important developments which have taken place during the last decades and reflects the modern trend to abstraction. At the present state of the art we have acquired a fairly good knowledge of "how to. compute" small molecules us ing the methods of quantum chemistry. Yet, in spite of many statements to the contrary and many superficial discussions, the theoretical basis of chemistry and biology is not safely in our hands. It is all but impossible to summarize the modern developments of the theory of matter in nontechnical language. But I hope that I can give some feeling for the problems, the intellectual excitements and the wor ries of some theoreticians. I know very well that such an enterprise is a dangerous adventure and that one says that a clever scientist should take care of his reputation by barricading himself behind the safe wall of his speciality. This volume is not meant to be a textbook; in many respects it has complementary goals. For good and bad reasons, most textbooks ignore the historical and philosophical aspects and go ahead on the basis of crude simplifications; many even lie like the devil and do not shrink from naive indoctrination. Some sections of this book can be read as commentaries on our standard texts, they are intended to stir the waters with controversy.

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