Chemical Physics of Free Molecules

Chemical Physics of Free Molecules

Author: Norman H. March

Publisher: Springer Science & Business Media

Published: 2013-06-29

Total Pages: 406

ISBN-13: 1475796463

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In this introductory chemical physics textbook, the authors discuss the interactions, bonding, electron density, and experimental techniques of free molecules, and apply spectroscopic methods to determine molecular parameters, dynamics, and chemical reactions.


Chemical Physics of Molecular Condensed Matter

Chemical Physics of Molecular Condensed Matter

Author: Kazuya Saito

Publisher: Springer Nature

Published: 2020-10-09

Total Pages: 228

ISBN-13: 9811590230

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This book fills a gap in knowledge between chemistry- and physics-trained researchers about the properties of macroscopic (bulk) material. Although many good textbooks are available on solid-state (or condensed matter) physics, they generally treat simple systems such as simple metals and crystals consisting of atoms. On the other hand, textbooks on solid-state chemistry often avoid descriptions of theoretical background even at the simplest level. This book gives coherent descriptions from intermolecular interaction up to properties of condensed matter ranging from isotropic liquids to molecular crystals. By omitting details of specific systems for which comprehensive monographs are available—on liquid crystals and molecular conductors, for instance—this book highlights the effects of molecular properties, i.e., the presence of the shape and its deformation on the structure and properties of molecular systems.


Magnetic Atoms and Molecules

Magnetic Atoms and Molecules

Author: William Weltner

Publisher: Courier Corporation

Published: 1989-01-01

Total Pages: 460

ISBN-13: 9780486661407

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This comprehensive graduate-level text by a leading researcher in atomic and molecular spectroscopy explores the electron-spin-resonance theory of randomly oriented molecules. "I recommend it highly." ? American Scientist. 119 illustrations.


Controlling the Quantum World

Controlling the Quantum World

Author: National Research Council

Publisher: National Academies Press

Published: 2007-06-21

Total Pages: 245

ISBN-13: 0309102707

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As part of the Physics 2010 decadal survey project, the Department of Energy and the National Science Foundation requested that the National Research Council assess the opportunities, over roughly the next decade, in atomic, molecular, and optical (AMO) science and technology. In particular, the National Research Council was asked to cover the state of AMO science, emphasizing recent accomplishments and identifying new and compelling scientific questions. Controlling the Quantum World, discusses both the roles and challenges for AMO science in instrumentation; scientific research near absolute zero; development of extremely intense x-ray and laser sources; exploration and control of molecular processes; photonics at the nanoscale level; and development of quantum information technology. This book also offers an assessment of and recommendations about critical issues concerning maintaining U.S. leadership in AMO science and technology.


Fundamentals of Molecular Symmetry

Fundamentals of Molecular Symmetry

Author: P.R. Bunker

Publisher: CRC Press

Published: 2018-10-03

Total Pages: 384

ISBN-13: 1351989855

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Winner of a 2005 CHOICE Outstanding Academic Book Award Molecular symmetry is an easily applied tool for understanding and predicting many of the properties of molecules. Traditionally, students are taught this subject using point groups derived from the equilibrium geometry of the molecule. Fundamentals of Molecular Symmetry shows how to set up symmetry groups for molecules using the more general idea of energy invariance. It is no more difficult than using molecular geometry and one obtains molecular symmetry groups. The book provides an introductory description of molecular spectroscopy and quantum mechanics as the foundation for understanding how molecular symmetry is defined and used. The approach taken gives a balanced account of using both point groups and molecular symmetry groups. Usually the point group is only useful for isolated, nonrotating molecules, executing small amplitude vibrations, with no tunneling, in isolated electronic states. However, for the chemical physicist or physical chemist who wishes to go beyond these limitations, the molecular symmetry group is almost always required.


Molecules in Electromagnetic Fields

Molecules in Electromagnetic Fields

Author: Roman V. Krems

Publisher: John Wiley & Sons

Published: 2018-06-19

Total Pages: 384

ISBN-13: 1118173619

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A tutorial for calculating the response of molecules to electric and magnetic fields with examples from research in ultracold physics, controlled chemistry, and molecular collisions in fields Molecules in Electromagnetic Fields is intended to serve as a tutorial for students beginning research, theoretical or experimental, in an area related to molecular physics. The author—a noted expert in the field—offers a systematic discussion of the effects of static and dynamic electric and magnetic fields on the rotational, fine, and hyperfine structure of molecules. The book illustrates how the concepts developed in ultracold physics research have led to what may be the beginning of controlled chemistry in the fully quantum regime. Offering a glimpse of the current state of the art research, this book suggests future research avenues for ultracold chemistry. The text describes theories needed to understand recent exciting developments in the research on trapping molecules, guiding molecular beams, laser control of molecular rotations, and external field control of microscopic intermolecular interactions. In addition, the author presents the description of scattering theory for molecules in electromagnetic fields and offers practical advice for students working on various aspects of molecular interactions. This important text: Offers information on theeffects of electromagnetic fields on the structure of molecular energy levels Includes thorough descriptions of the most useful theories for ultracold molecule researchers Presents a wealth of illustrative examples from recent experimental and theoretical work Contains helpful exercises that help to reinforce concepts presented throughout text Written for senior undergraduate and graduate students, professors, researchers, physicists, physical chemists, and chemical physicists, Molecules in Electromagnetic Fields is an interdisciplinary text describing theories and examples from the core of contemporary molecular physics.


Free Energy Calculations

Free Energy Calculations

Author: Christophe Chipot

Publisher: Springer Science & Business Media

Published: 2007-01-08

Total Pages: 528

ISBN-13: 3540384472

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Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.


The Chemical Physics of Ice

The Chemical Physics of Ice

Author: N. H. Fletcher

Publisher: Cambridge University Press

Published: 1970-02

Total Pages: 0

ISBN-13: 0521075971

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Originally published in 1970, this book gives a comprehensive account of the properties of ice, the connections between them and the way in which they derive from the structure of the water molecule and the small mass of the proton. The properties are discussed in terms of quantum mechanics and solid state theory with emphasis on physical principles rather than on theoretical models. The book is intended as an exemplification of the principles of chemical physics for beginning graduate students in physics of physical chemistry and as a text and reference book on the properties of ice for research workers in glaciology, cloud physics, meteorology and associated fields. Although the author assumes a familiarity with fundamental physics, he has taken some trouble to make his account self-contained by reference to the underlying principles in every case or by more detailed discussion where the application is not a standard one.


Advanced Molecular Quantum Mechanics

Advanced Molecular Quantum Mechanics

Author: R. Moss

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 251

ISBN-13: 9400956886

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This book is primarily intended for graduate chemists and chemical physicists. Indeed, it is based on a graduate course that I give in the Chemistry Depart ment of Southampton University. Nowadays undergraduate chemistry courses usually include an introduction to quantum mechanics with particular reference to molecular properties and there are a number of excellent textbooks aimed specifically at undergraduate chemists. In valence theory and molecular spectroscopy physical concepts are often encountered that are normally taken on trust. For example, electron spin and the anomalous magnetic moment of the electron are usually accepted as postulates, although they are well understood by physicists. In addition, the advent of new techniques has led to experimental situations that can only be accounted for adequately by relatively sophisticated physical theory. Relativis tic corrections to molecular orbital energies are needed to explain X-ray photo electron spectra, while the use oflasers can give rise to multiphoton transitions, which are not easy to understand using the classical theory of radiation. Of course, the relevant equations may be extracted from the literature, but, if the underlying physics is not understood, this is a practice that is at best dissatisfy ing and at worst dangerous. One instance where great care must be taken is in the use of spectroscopically determined parameters to test the accuracy of elec tronic wave functions.


Molecular Physics and Elements of Quantum Chemistry

Molecular Physics and Elements of Quantum Chemistry

Author: Hermann Haken

Publisher: Springer Science & Business Media

Published: 2013-03-09

Total Pages: 412

ISBN-13: 3662030756

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This textbook introduces the molecular and quantum chemistry needed to understand the physical properties of molecules and their chemical bonds. It follows the authors' earlier textbook "The Physics of Atoms and Quanta" and presents both experimental and theoretical fundamentals for students in physics and physical and theoretical chemistry. The new edition treats new developments in areas such as high-resolution two-photon spectroscopy, ultrashort pulse spectroscopy, photoelectron spectroscopy, optical investigation of single molecules in condensed phase, electroluminescence, and light-emitting diodes.