The Atom-Atom Potential Method

The Atom-Atom Potential Method PDF Author: Alexander J. Pertsin
Publisher: Springer Science & Business Media
ISBN: 3642827128
Category : Science
Languages : en
Pages : 404

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Book Description
The history of physics furnishes many examples of how a simple semiem pirical method, essentially based on intuitive considerations, may prove to be much more successful than a rigorous theoretical approach. A pertinent example is the method of atom-atom potentials, which treats the intermolec ular interactions between polyatomic molecules in terms of pairwise inter actions between their constituent atoms. Despite a few conceptual short comings, the method provides a fairly reliable practical means of handling, on a microscopic level, a wide range of problems that arise in the solid-state physics and chemistry of organic compounds. This monograph is an attempt to generalize the experience gained in the past twenty years in interpreting the static and dynamic properties of organic molecular solids in terms of atom-atom potentials. It embraces nearly all aspects of the application of the method, including an evaluation of cohesive energies, equilibrium crystal structures, phonon spectra, ther modynamic functions, and crystal defects. Many related topics such as the effect of the crystal field on molecular conformation, the determination of crystal structures from raw diffraction data, and the problem of polymor phic transitions are also discussed. We believe that this book will be of use to researchers in solid-state physics, chemistry, crystallography, physical chemistry, and polymer chem istry. It also gives us an opportunity to acknowledge our indebtedness to those who sent us published as well as unpublished information and sugges tions, including A.T. Amos, E.L. Bokhenkov, H. Bonadeo, R.K. Boyd, C.P.

The Atom-Atom Potential Method

The Atom-Atom Potential Method PDF Author: Alexander J. Pertsin
Publisher: Springer Science & Business Media
ISBN: 3642827128
Category : Science
Languages : en
Pages : 404

Get Book Here

Book Description
The history of physics furnishes many examples of how a simple semiem pirical method, essentially based on intuitive considerations, may prove to be much more successful than a rigorous theoretical approach. A pertinent example is the method of atom-atom potentials, which treats the intermolec ular interactions between polyatomic molecules in terms of pairwise inter actions between their constituent atoms. Despite a few conceptual short comings, the method provides a fairly reliable practical means of handling, on a microscopic level, a wide range of problems that arise in the solid-state physics and chemistry of organic compounds. This monograph is an attempt to generalize the experience gained in the past twenty years in interpreting the static and dynamic properties of organic molecular solids in terms of atom-atom potentials. It embraces nearly all aspects of the application of the method, including an evaluation of cohesive energies, equilibrium crystal structures, phonon spectra, ther modynamic functions, and crystal defects. Many related topics such as the effect of the crystal field on molecular conformation, the determination of crystal structures from raw diffraction data, and the problem of polymor phic transitions are also discussed. We believe that this book will be of use to researchers in solid-state physics, chemistry, crystallography, physical chemistry, and polymer chem istry. It also gives us an opportunity to acknowledge our indebtedness to those who sent us published as well as unpublished information and sugges tions, including A.T. Amos, E.L. Bokhenkov, H. Bonadeo, R.K. Boyd, C.P.

Crystal Engineering: The Design and Application of Functional Solids

Crystal Engineering: The Design and Application of Functional Solids PDF Author: Kenneth Richard Seddon
Publisher: Springer Science & Business Media
ISBN: 9780792359050
Category : Science
Languages : en
Pages : 524

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Book Description
Crystal engineers need an understanding of bonding theory, computational chemistry, applied spectroscopy, structural methods, synthesis strategies, and applications of custom-designed solids. This book contains chapters on all these topics, written by internationally recognized experts, plus contributions from leading researchers in the field.

Molecular crystals and Molecules

Molecular crystals and Molecules PDF Author: A Kitaigorodsky
Publisher: Elsevier
ISBN: 0323145655
Category : Science
Languages : en
Pages : 571

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Book Description
Molecular Crystals and Molecules deals with some of the problems of molecular crystallography and certain aspects of molecular structure. This book is composed of eight chapters that specifically cover the significant progress of conformational research. The opening chapter describes the structure of crystals considering the close-packing principle, disorder elements, and binary systems. The next two chapters examine the calculation of crystal lattice energy and dynamics. These topics are followed by discussions on the molecular movement, structural, and thermodynamic aspects of crystals. The final chapters look into the parameters for conformational calculations of molecules, macromolecules, and biopolymers. This book will be of great value to physical chemists and researchers who are interested in crystal and molecular structure.

Applied Scanning Probe Methods I

Applied Scanning Probe Methods I PDF Author: Bharat Bhushan
Publisher: Springer Science & Business Media
ISBN: 364235792X
Category : Technology & Engineering
Languages : en
Pages : 485

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Book Description
Examining the physical and technical foundation for recent progress with this technique, Applied Scanning Probe Methods offers a timely and comprehensive overview of SPM applications, now that industrial applications span topographic and dynamical surface studies of thin-film semiconductors, polymers, paper, ceramics, and magnetic and biological materials. First it lays the theoretical background of static and dynamic force microscopies, including sensor technology and tip characterization, contributions detail applications such as macro- and nanotribology, polymer surfaces, and roughness investigations. The final part on industrial research addresses special applications of scanning force nanoprobes such as atomic manipulation and surface modification, as well as single electron devices based on SPM.

Chemical Physics of Solids and Their Surfaces

Chemical Physics of Solids and Their Surfaces PDF Author: M W Roberts
Publisher: Royal Society of Chemistry
ISBN: 1847555802
Category : Science
Languages : en
Pages : 194

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Book Description
Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued.

Organic Electronics

Organic Electronics PDF Author: Stephen R. Forrest
Publisher: Oxford University Press, USA
ISBN: 0198529724
Category : Science
Languages : en
Pages : 1068

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Book Description
This textbook provides a basic understanding of the principles of the field of organic electronics through to their applications in organic devices. Useful for the student and practitioner, it is both a teaching text and a resource that is a jumping-off point for learning, working and innovating in this rapidly growing field.--Provided by publisher.

Structure and Dynamics of Nucleic Acids, Proteins, and Membranes

Structure and Dynamics of Nucleic Acids, Proteins, and Membranes PDF Author: E. Clementi
Publisher: Springer Science & Business Media
ISBN: 1468453084
Category : Science
Languages : en
Pages : 454

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Book Description
This volume collects a number of the invited lectures and a few selected contrib utions presented at the International Symposium on Structure and Dynamics of Nucleic Acids, Proteins and Membranes held August 31st through September 5th, 1986, in Riva del Garda, Italy. The title of the conference as well as a number of the topics covered represent a continuation of two previous conferences, the first held in 1982 at the University of California in San Diego, and the second in 1984 in Rome at the Accademia dei Lincei. These two earlier conferences have been documented in Structure and Dynamics: Nucleic Acids and Proteins, edited by E. Clementi and R. H. Sarma, Adenine Press, New York, 1983, and Structure and Motion: Membranes, Nucleic Acids and Proteins, edited by E. Clementi, G. Corongiu, M. H. Sarma and R. H. Sarma, Adenine Press, New York, 1985. At this conference in Riva del Garda we were very hesitant to keep the name of the conference the same as the two previous ones. Indeed, a number of topics discussed in this conference were not included in the previous ones and even the emphasis of this gathering is only partly reflected in the conference title. An alternative title would have been Structure and Dynamics of Nucleic Acids, Proteins, and Higher Functions, or, possibly, "higher components" rather than "higher functions.

Advances in Structure Research by Diffraction Methods

Advances in Structure Research by Diffraction Methods PDF Author: R. Brill
Publisher: Elsevier
ISBN: 1483152286
Category : Science
Languages : en
Pages : 257

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Book Description
Advances in Structure Research by Diffraction Methods reviews advances in the use of diffraction methods in structure research. Topics covered include the dynamical theory of X-ray diffraction, with emphasis on Ewald waves in theory and experiment; dynamical theory of electron diffraction; small angle scattering; and molecular packing. This book is comprised of four chapters and begins with an overview of the dynamical theory of X-ray diffraction, especially in terms of how it explains all the absorption and propagation properties of X-rays at the Bragg setting in a perfect crystal. The next chapter describes the dynamical theory of electron diffraction, paying particular attention to unconventional structure analysis in connection with the problems of absorption. The most important features of the background of small angle analysis are then examined, and some examples showing the direct analysis of small angle scattering (sometimes in combination with wide angle scattering) are provided. The last chapter deals with crystals built from molecules and their peculiar geometrical features. The principle of close packing of molecules in an organic crystal is also described, along with lattice dynamics, hydrogen bonds in crystals, and the rotational crystalline state. This monograph will be a useful resource for practitioners and researchers in physics and crystallography.

Nonlinear Optical Properties of Organic Molecules and Crystals V1

Nonlinear Optical Properties of Organic Molecules and Crystals V1 PDF Author: D.S. Chemla
Publisher: Elsevier
ISBN: 0323148158
Category : Science
Languages : en
Pages : 497

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Book Description
Nonlinear Optical Properties of Organic Molecules and Crystals, Volume 1 discusses the nonlinear optical effects in organic molecules and crystals, providing a classical distinction between quadratic and cubic processes. This book begins with a general overview of the basic properties of organic matter, followed by a review on the benefits derived from quantum-chemistry-based models and growth and characterization of high quality, bulk organic crystals and waveguided structures. A case study focusing on a specific material, namely urea, which exemplifies a situation in which transparency in the UV region has been purposely traded for nonlinear efficiency is also deliberated. This text concludes with a description of a type of trade-off between the unpredictable orientation of molecules in crystalline media, polarity of liquid-crystalline structures, and dominant electronic contribution to the electro-optic effect. This publication is beneficial to solid-state physicists and chemists concerned with nonlinear optical properties of organic molecules and crystals.

Terahertz Spectroscopy and Imaging

Terahertz Spectroscopy and Imaging PDF Author: Kai-Erik Peiponen
Publisher: Springer
ISBN: 3642295649
Category : Science
Languages : en
Pages : 660

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Book Description
This book presents the state-of-the-art of Terahertz spectroscopy. It is a modern source for a beginners and researcher interested in THz spectroscopy. The basics and physical background of THz spectroscopy and technology are explained, and important applications are described. The book presents the highlights of scientific research in the field of THz science and provides an excellent overview of the field and future directions of research. Over the last decade the field of terahertz spectroscopy has developed into one of the most rapidly growing fields of spectroscopy with large impact across a wide range of scientific disciplines. Due to substantial advances in femtosecond laser technology, terahertz time-domain spectroscopy (THz-TDS) has established itself as the dominant spectroscopic technique for experimental scientists interested in measurements in this frequency range. In solids and liquids terahertz radiation is at resonance with both phonon modes and hydrogen bonding modes which makes it an ideal tool to study the interaction between molecules in a unique way, thus opening a wealth of opportunities for research in physics, chemistry, biology, materials science and pharmaceuticals. This book provides an easy access to scientists, engineers and students alike who want to understand the theory and applications of modern terahertz spectroscopy.