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Equilibrium Molecular Structures
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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
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.
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.
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.
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.
Book Synopsis Structures and Conformations of Non-Rigid Molecules by : J. Laane
Download or read book Structures and Conformations of Non-Rigid Molecules written by J. Laane and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.
Book Synopsis Non-equilibrium Energy Transformation Processes by : Viktor Holubec
Download or read book Non-equilibrium Energy Transformation Processes written by Viktor Holubec and published by Springer. This book was released on 2014-05-22 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: Various experimental techniques have been advanced in recent years to measure non-equilibrium energy transformations on the microscopic scale of single molecules. In general, the systems studied in the corresponding experiments are exposed to strong thermal fluctuations and thus the relevant energetic variables such as work and heat become stochastic. This thesis addresses challenging theoretical problems in this active field of current research: 1) Exact analytical solutions of work and heat distributions for isothermal non-equilibrium processes in suitable models are obtained; 2) Corresponding solutions for cyclic processes involving two different heat reservoirs are found; 3) Optimization of periodic driving protocols for such cyclic processes with respect to maximal output power, efficiency and minimal power fluctuations is studied. The exact solutions for work and heat distributions provide a reference for theoretical investigations of more complicated models, giving insight into the structure of the tail of work distributions and serving as valuable test cases for simulations of the underlying stochastic processes.
Download or read book Chemistry 2e written by Paul Flowers and published by . This book was released on 2019-02-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.
Book Synopsis Molecules and Models by : Arne Haaland
Download or read book Molecules and Models written by Arne Haaland and published by Oxford University Press. This book was released on 2008-03-06 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the structures of molecules, i.e. their shape and size, as determined by experiments or advanced theoretical calculations, and gives an introduction to the simple concepts that chemists use to interpret these structures.
Book Synopsis Molecular Physical Chemistry for Engineering Applications by : Florin Emilian Daneș
Download or read book Molecular Physical Chemistry for Engineering Applications written by Florin Emilian Daneș and published by Springer Nature. This book was released on 2021-07-06 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook introduces the molecular side of physical chemistry. It offers students and practitioners a new approach to the subject by presenting numerous applications and solved problems that illustrate the concepts introduced for varied and complex technical situations. The book offers a balance between theory, tools, and practical applications. The text aims to be a practical manual for solving engineering problems in industries where processes depend on the chemical composition and physical properties of matter. The book is organized into three main topics: (I) the molecular structure of matter, (II) molecular models in thermodynamics, and (III) transport phenomena and mechanisms. Part I presents methods of analysis of the molecular behavior in a given system, while the following parts use these methods to study the equilibrium states of a material system and to analyze the processes that can take place when the system is in a state of non-equilibrium, in particular the transport phenomena. Molecular Physical Chemistry for Engineering Applications is designed for upper-level undergraduate and graduate courses in physical chemistry for engineers, applied physical chemistry, transport phenomena, colloidal chemistry, and transport/transfer processes. The book will also be a valuable reference guide for engineers, technicians, and scientists working in industry. Offers modeling techniques and tools for solving exercises and practical cases; Provides solutions and conclusions so students can follow results more closely; Step-by-step problem solving enables students to understand how to approach complex issues.
Book Synopsis Modelling Molecular Structures by : Alan Hinchliffe
Download or read book Modelling Molecular Structures written by Alan Hinchliffe and published by . This book was released on 2000-09-21 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity. Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field. Covering developments in the field since the first publication, this title also includes updated text and new material on: * Molecular Dynamics * Dealing with the Solvent This title is an indispensable introduction for all chemists, materials scientists, molecular biologists, and researchers working in, and interested in, the field of molecular modelling.
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:
Book Synopsis Fundamentals of Equilibrium and Steady-State Thermodynamics by : N.W. Tschoegl
Download or read book Fundamentals of Equilibrium and Steady-State Thermodynamics written by N.W. Tschoegl and published by Elsevier. This book was released on 2000-02-14 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the salient features of both equilibrium and steady-state thermodynamic theory under a uniform postulatory viewpoint. The emphasis is upon the formal aspects and logical structure of thermodynamic theory, allowing it to emerge as a coherent whole, unfettered by much of those details which - albeit indispensable in practical applications - tend to obscure this coherent structure. Largely because of this, statistical mechanics and reference to molecular structure are, barring an occasional allusion, avoided. The treatment is, therefore, 'classical', or - using a perhaps more appropriate word - 'phenomenological'. The volume almost exclusively deals with 'ideal' systems, given that the treatment of 'real' systems properly belongs in the realm of applied, rather than theoretical thermodynamics. For these reasons, only selected ideal systems are covered. Ideal gases are discussed extensively. The ideal solution is treated as an example of a liquid system. The amorphous ideal rubber serves as an example of a solid. The formalism developed in these sections is a model for the treatment of other, more complex systems. This short structural overview is written in the hope that a knowledge of steady-state theory will deepen readers' understanding of thermodynamics as a whole.
Download or read book Water written by Xiao-Feng Pang and published by World Scientific. This book was released on 2014 with total page 491 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a broad and complete introductions to the molecular structure, novel and anomalous properties, nonlinear excitations, soliton motions, magnetization, and biological effects of water. These subjects are described by both experimental results and theoretical analyses. These contents are very interesting and helpful to elucidate and explain the problem of what is on earth water. This book contains the research results of the author and plenty of scientists in recent decades. Water: Molecular Structure and Properties is self-contained and unified in presentation. It may be used as an advanced textbook by graduate students and even ambitious undergraduates in Physics and Biology. It is also suitable for the researchers and engineers in Physics, Biology and water science.
Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
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.
Book Synopsis Order and Disorder in the World of Atoms by : A.I. Kitaigorodskiy
Download or read book Order and Disorder in the World of Atoms written by A.I. Kitaigorodskiy and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our main aim is to examine whether the atoms and molecules constituting the world around us are distributed in space in a random and disordered fashion, like pebbles on the beach, or in an ordered pattern like the cells of a honeycomb. However, it is often impossible to make such a clear-cut distinction, and it is better not to use "order" and "disorder" as absolute terms but to speak instead of a "degree of order" and a "degree of disorder. " These concepts are fairly new in science. Up to about 20-30 years ago it was still believed (and in fact this belief can still be en countered today) that certain states of matter - such as gases, liquids, and amorphous solids - were characterized by a totally disordered distribution of the constituent particles, whilst crys tals, by contrast, exhibited perfectly ordered lattices. According to the present view, on the other hand, order and disorder often coexist inseparably from each other, though there are admittedly many cases in which "order" or "disorder" does describe quite accurately tbe actual state of affairs. Symptoms of disorder have recently been found in seemingly perfectly regular molecular structures, and symptoms of order in seemingly perfectly chaotic aggregations of particles. These dis coveries led to the formulation of new and important laws cor relating the structure of substances with their properties, and to tIlt' explanation of many phenomena in terms of changes in the degree of order.
