Equilibrium Structure of Free Molecules

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Publisher : Springer
ISBN 13 : 9783031360442
Total Pages : 0 pages
Book Rating : 4.3/5 (64 download)

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Book Synopsis Equilibrium Structure of Free Molecules by : Natalja Vogt

Download or read book Equilibrium Structure of Free Molecules written by Natalja Vogt and published by Springer. This book was released on 2023-09-06 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines around 400 of the most striking examples of structural studies of free molecules—selected and analyzed by virtue of the unique molecular complexity and novelty of the experimental techniques used. The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, the determination of which is of fundamental interest. Featuring high-quality structural data determined using modern techniques in electron diffraction and high-resolution spectroscopy, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other relevant fields.

Accurate Structure Determination of Free Molecules

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Author :
Publisher : Springer Nature
ISBN 13 : 3030604926
Total Pages : 291 pages
Book Rating : 4.0/5 (36 download)

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Book Synopsis Accurate Structure Determination of Free Molecules by : Jean Demaison

Download or read book Accurate Structure Determination of Free Molecules written by Jean Demaison and published by Springer Nature. This book was released on 2020-12-02 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure – it is a prerequisite for determining and understanding most other important properties of molecules. The determination of accurate structures is hampered by a myriad of factors, subjecting the collected data to non-negligible systematic errors. This book explains the origin of these errors and how to mitigate and even avoid them altogether. It features a detailed comparison of the different experimental and computation methods, explaining their interplay and the advantages of their combined use. Armed with this information, the reader will be able to choose the appropriate methods to determine – to a great degree of accuracy – the relevant molecular structure.

Equilibrium Structure of Free Molecules

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Publisher : Springer Nature
ISBN 13 : 3031360451
Total Pages : 482 pages
Book Rating : 4.0/5 (313 download)

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Book Synopsis Equilibrium Structure of Free Molecules by : Natalja Vogt

Download or read book Equilibrium Structure of Free Molecules written by Natalja Vogt and published by Springer Nature. This book was released on 2023-12-06 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, whose determination is of fundamental interest. This book examines and systematizes more than three hundred striking structural determinations of free molecules. Featuring high-quality structural data and presenting modern techniques of their determinations by quantum chemistry, high-resolution spectroscopy and electron diffraction, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other related fields.

Equilibrium Molecular Structures

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Author :
Publisher : CRC Press
ISBN 13 : 1439811350
Total Pages : 302 pages
Book Rating : 4.4/5 (398 download)

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Book Synopsis Equilibrium Molecular Structures by : Jean Demaison

Download or read book Equilibrium Molecular Structures written by Jean Demaison and published by CRC Press. This book was released on 2016-04-19 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of "structure" and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these

Structure of Free Polyatomic Molecules

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Publisher : Springer Science & Business Media
ISBN 13 : 3642457487
Total Pages : 223 pages
Book Rating : 4.6/5 (424 download)

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Book Synopsis Structure of Free Polyatomic Molecules by : Kozo Kuchitsu

Download or read book Structure of Free Polyatomic Molecules written by Kozo Kuchitsu and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume Structure of Free Polyatomic Molecules Basic Data contains frequently used data from the corresponding larger Landolt-Börnstein handbooks in a low price book for the individual scientists working in the laboratory. Directories link to the more complete volumes in the library. The book contains important information about a large number of semiconductors.

Low Temperature Molecular Spectroscopy

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Publisher : Springer Science & Business Media
ISBN 13 : 9400902816
Total Pages : 622 pages
Book Rating : 4.4/5 (9 download)

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Book Synopsis Low Temperature Molecular Spectroscopy by : Rui Fausto

Download or read book Low Temperature Molecular Spectroscopy written by Rui Fausto and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular spectroscopy has achieved rapid and significant progress in recent years, the low temperature techniques in particular having proved very useful for the study of reactive species, phase transitions, molecular clusters and crystals, superconductors and semiconductors, biochemical systems, astrophysical problems, etc. The widening range of applications has been accompanied by significant improvements in experimental methods, and low temperature molecular spectroscopy has been revealed as the best technique, in many cases, to establish the connection between experiment and theoretical calculations. This, in turn, has led to a rapidly increasing ability to predict molecular spectroscopic properties. The combination of an advanced tutorial standpoint with an emphasis on recent advances and new perspectives in both experimental and theoretical molecular spectroscopy contained in this book offers the reader insight into a wide range of techniques, particular emphasis being given to supersonic jet and matrix isolation techniques, spectroscopy in cryogenic solutions (including liquid noble gases), and in both crystalline and amorphous states. Suitable quantum chemical methods are also considered, as are empirically based force field methods for calculating spectra of large molecular systems. The wide range of topics covered includes: molecular dynamics and reactivity, time-resolved and high-resolution spectroscopy, conformational analysis, hydrogen bonding and solvent effects, structure and dynamics of weakly bound complexes, transition metal and organic photochemistry, spectroscopy of excited states, ab initio prediction of molecular spectra, and biochemical and astrophysical applications.

Structure Data of Free Polyatomic Molecules

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Publisher : Springer Nature
ISBN 13 : 3030294307
Total Pages : 926 pages
Book Rating : 4.0/5 (32 download)

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Book Synopsis Structure Data of Free Polyatomic Molecules by : Natalja Vogt

Download or read book Structure Data of Free Polyatomic Molecules written by Natalja Vogt and published by Springer Nature. This book was released on 2020-01-02 with total page 926 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook presents structural data on free polyatomic molecules. Since the structure of molecules defines the chemical, physical and biological properties of matter, this information is crucial for understanding, explaining and predicting chemical reactions and biochemical processes, developing new drugs and materials as well as studying interstellar media. Covering the structural data published between 2009 and 2017, this book supplements the previous Landolt–Börnstein volumes “Structure Data of Free Polyatomic Molecules” (eds. K. Kuchitsu, N. Vogt, M. Tanimoto), which included data from the literature published up to 2008. It systematizes and describes peculiarities of molecular structures for about 1000 compounds studied mainly by gas-phase electron diffraction and rotational spectroscopy. All structures are given in three-dimensional representations.

Out-of-Equilibrium (Supra)molecular Systems and Materials

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Publisher : John Wiley & Sons
ISBN 13 : 3527821988
Total Pages : 448 pages
Book Rating : 4.5/5 (278 download)

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Book Synopsis Out-of-Equilibrium (Supra)molecular Systems and Materials by : Nicolas Giuseppone

Download or read book Out-of-Equilibrium (Supra)molecular Systems and Materials written by Nicolas Giuseppone and published by John Wiley & Sons. This book was released on 2021-03-30 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: A must-have resource that covers everything from out-of-equilibrium chemical systems and materials to dissipative self-assemblies Out-of-Equilibrium Supramolecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use supramolecular bonds in various out-of-thermodynamic equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative self-assemblies that maintain their structures when fueled by an external source of energy. The contributors also examine molecules and nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores non-equilibrium supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical systems and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of dissipative self-assemblies to non-equilibrium supramolecular polymers Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium Supramolecular Systems and Materials is an indispensable resource written by top scientists in the field.

Structure of Liquids / Struktur der Flüssigkeiten

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Publisher : Springer Science & Business Media
ISBN 13 : 3642459471
Total Pages : 326 pages
Book Rating : 4.6/5 (424 download)

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Book Synopsis Structure of Liquids / Struktur der Flüssigkeiten by : H. S. Green

Download or read book Structure of Liquids / Struktur der Flüssigkeiten written by H. S. Green and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: 135 We first describe the thermodynamic theory of surface tension and adsorption, by the method of the dividing surface of GIBBS. The use of a dividing surface or its equivalent is indispensable for the treatment of a curved interface, as otherwise the concepts of the area and curvature of the interface, cannot be pre cisely defined. In the case of a plane interface, however, the concept of the dividing surface is not necessary and a valid alternative exposition has been proposed by GUGGEN HEIM [3J, [4J in treating the interface zone as a separate entity of some definite thickness bounded by two mathematical planes. We make, however, little mention of this method, since it seems to be of only minor importance in connec tion with the statistical treatment of an interface. To avoid any ambiguity, the treatment of a spherical interface given in this article is based not on the original method of GIBBS but on the method modified by HILL [8J and KONDO [9]. This method, however, is not applicable to non spherical interfaces, which will not be dealt with in this article. Although all the relations for a plane interface can be deduced from the cor responding ones for a spherical interface by putting the curvature equal to zero, the planar and the spherical cases are considered separately because of the prac tical importance and easy physical visualization of a plane interface.

Biophysical Chemistry

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Publisher : Springer Science & Business Media
ISBN 13 : 1461232708
Total Pages : 347 pages
Book Rating : 4.4/5 (612 download)

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Book Synopsis Biophysical Chemistry by : Peter R. Bergethon

Download or read book Biophysical Chemistry written by Peter R. Bergethon and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biophysical Chemistry: Molecules to Membranes is a one-semester textbook for graduate and senior undergraduate students. Developed over several years of teaching, the approach differs from that of other texts by emphasizing thermodynamics of aqueous solutions, by rigorously treating electrostatics and irreversible phenomena, and by applying these principles to topics of biochemistry and biophysics. The main sections are: (1) Basic principles of equilibrium thermodynamics. (2) Structure and behavior of solutions of ions and molecules. The discussions range from properties of bulk water to the solvent structure of solutions of small molecules and macromolecules. (3) Physical principles are extended for the non-homogenous and non-equilibrium nature of biological processes. Areas included are lipid/water systems, transport phenomena, membranes, and bio-electrochemistry. This new textbook will provide an essential foundation for research in cellular physiology, biochemistry, membrane biology, as well as the derived areas bioengineering, pharmacology, nephrology, and many others.

Entropy and Free Energy in Structural Biology

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Publisher : CRC Press
ISBN 13 : 1000072304
Total Pages : 374 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Entropy and Free Energy in Structural Biology by : Hagai Meirovitch

Download or read book Entropy and Free Energy in Structural Biology written by Hagai Meirovitch and published by CRC Press. This book was released on 2020-08-14 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer simulation has become the main engine of development in statistical mechanics. In structural biology, computer simulation constitutes the main theoretical tool for structure determination of proteins and for calculation of the free energy of binding, which are important in drug design. Entropy and Free Energy in Structural Biology leads the reader to the simulation technology in a systematic way. The book, which is structured as a course, consists of four parts: Part I is a short course on probability theory emphasizing (1) the distinction between the notions of experimental probability, probability space, and the experimental probability on a computer, and (2) elaborating on the mathematical structure of product spaces. These concepts are essential for solving probability problems and devising simulation methods, in particular for calculating the entropy. Part II starts with a short review of classical thermodynamics from which a non-traditional derivation of statistical mechanics is devised. Theoretical aspects of statistical mechanics are reviewed extensively. Part III covers several topics in non-equilibrium thermodynamics and statistical mechanics close to equilibrium, such as Onsager relations, the two Fick's laws, and the Langevin and master equations. The Monte Carlo and molecular dynamics procedures are discussed as well. Part IV presents advanced simulation methods for polymers and protein systems, including techniques for conformational search and for calculating the potential of mean force and the chemical potential. Thermodynamic integration, methods for calculating the absolute entropy, and methodologies for calculating the absolute free energy of binding are evaluated. Enhanced by a number of solved problems and examples, this volume will be a valuable resource to advanced undergraduate and graduate students in chemistry, chemical engineering, biochemistry biophysics, pharmacology, and computational biology.

Molecular Structure and Statistical Thermodynamics

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Publisher : World Scientific
ISBN 13 : 9810214391
Total Pages : 537 pages
Book Rating : 4.8/5 (12 download)

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Book Synopsis Molecular Structure and Statistical Thermodynamics by : Kenneth S. Pitzer

Download or read book Molecular Structure and Statistical Thermodynamics written by Kenneth S. Pitzer and published by World Scientific. This book was released on 1993 with total page 537 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the course of his distinguished career of over 55 years, Kenneth S Pitzer published over 360 scientific papers. Included in this volume are 72 papers, selected for their historical importance and continuing significance. In early work, where spectroscopic data were incomplete or, later on, where the systems of interest were so complex that a deductive solution from molecular information was impractical, Pitzer interrelated molecular structural information, statistical methods and thermodynamic measurements to advance the understanding of molecular systems. This volume considers all three aspects and, by putting together selected papers, highlights the cohesiveness of certain advances through time and development. Several papers from journals not widely circulated can also be found in this selection of papers.

Molecular Structures and Vibrations

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Publisher :
ISBN 13 :
Total Pages : 544 pages
Book Rating : 4.E/5 ( download)

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Book Synopsis Molecular Structures and Vibrations by : Sven Josef Cyvin

Download or read book Molecular Structures and Vibrations written by Sven Josef Cyvin and published by . This book was released on 1972 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Self-Organizing Systems

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Publisher : Springer Science & Business Media
ISBN 13 : 1461308836
Total Pages : 658 pages
Book Rating : 4.4/5 (613 download)

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Book Synopsis Self-Organizing Systems by : F.Eugene Yates

Download or read book Self-Organizing Systems written by F.Eugene Yates and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: Technological systems become organized by commands from outside, as when human intentions lead to the building of structures or machines. But many nat ural systems become structured by their own internal processes: these are the self organizing systems, and the emergence of order within them is a complex phe nomenon that intrigues scientists from all disciplines. Unfortunately, complexity is ill-defined. Global explanatory constructs, such as cybernetics or general sys tems theory, which were intended to cope with complexity, produced instead a grandiosity that has now, mercifully, run its course and died. Most of us have become wary of proposals for an "integrated, systems approach" to complex matters; yet we must come to grips with complexity some how. Now is a good time to reexamine complex systems to determine whether or not various scientific specialties can discover common principles or properties in them. If they do, then a fresh, multidisciplinary attack on the difficulties would be a valid scientific task. Believing that complexity is a proper scientific issue, and that self-organizing systems are the foremost example, R. Tomovic, Z. Damjanovic, and I arranged a conference (August 26-September 1, 1979) in Dubrovnik, Yugoslavia, to address self-organizing systems. We invited 30 participants from seven countries. Included were biologists, geologists, physicists, chemists, mathematicians, bio physicists, and control engineers. Participants were asked not to bring manu scripts, but, rather, to present positions on an assigned topic. Any writing would be done after the conference, when the writers could benefit from their experi ences there.

Infrared Spectroscopy of Molecular Clusters

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Publisher : Springer
ISBN 13 : 3540454578
Total Pages : 120 pages
Book Rating : 4.5/5 (44 download)

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Book Synopsis Infrared Spectroscopy of Molecular Clusters by : Martina H. Havenith

Download or read book Infrared Spectroscopy of Molecular Clusters written by Martina H. Havenith and published by Springer. This book was released on 2003-07-01 with total page 120 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended to give an introduction to intermolecular forces from an experimental point of view. Within the last 10 years the interest has turned more and more into an understanding of the weak, but important, int- molecular forces. New experimental techniques have been developed which have helped to gain more insight into this interesting topic. This book is intended as an introduction for graduate students who are familiar with the main concepts of n~olecular spectroscopy. Special emphasis will be laid on the theoretical concepts. After a detailed description of experimental techniques, the results for two prototype systems which have been the subject of several studies in the literature within recent years will be presented. Ar-CO is becoming the most extensively studied van der Waals complex, theoretically and experimentally. Nevertheless, this example shows that even though the theory has greatly improved and has helped us to improve our knowledge of intermolecular forces, even for relatively simple cases the theory car1 still fall short of an accurate description. For a long time (NH3)2 was considered as a prototype for hydrogen bo- ing. However, subsequent experimental and theoretical studies have revealed the mysteries of the obtained spectra and proved that our previous concept of hydrogen bonds was just too naive.

Structure of Molecules and Internal Rotation

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Publisher : Academic Press
ISBN 13 : 1483194833
Total Pages : 254 pages
Book Rating : 4.4/5 (831 download)

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Book Synopsis Structure of Molecules and Internal Rotation by : San-Ichiro Mizushima

Download or read book Structure of Molecules and Internal Rotation written by San-Ichiro Mizushima and published by Academic Press. This book was released on 2016-07-29 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structure of Molecules and Internal Rotation reviews early studies on dihalogenoethanes. This book is organized into two parts encompassing 8 chapters that evaluate the Raman effect in ethane derivatives, the energy difference between rotational isomers, and the infrared absorption of ethane derivatives. Some of the topics covered in the book are the potential barrier to internal rotation; nature of the hindering potential; entropy difference between the rotational isomers; internal rotation in butane, pentane, and hexane; and internal rotation in long chain n-paraffins. Other chapters deal with the configuration of a polypeptide chain, as well as the sum rule and the product rule for rotational isomers. The normal vibrations of the 1,2-dihalogenoethanes are presented. The last chapters are devoted to the examination of the Raman effect, dielectric constant, and electron diffraction. The book can provide useful information to chemists, physicists, students, and researchers.

Chemical Physics of Free Molecules

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Publisher : Springer Science & Business Media
ISBN 13 : 1475796463
Total Pages : 406 pages
Book Rating : 4.4/5 (757 download)

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Book Synopsis Chemical Physics of Free Molecules by : Norman H. March

Download or read book Chemical Physics of Free Molecules written by Norman H. March and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.