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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 290 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 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 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.
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.
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 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 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 Molecular Electronic-Structure Theory by : Trygve Helgaker
Download or read book Molecular Electronic-Structure Theory written by Trygve Helgaker and published by John Wiley & Sons. This book was released on 2014-08-11 with total page 949 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
Book Synopsis The Structure, Dynamics and Equilibrium Properties of Colloidal Systems by : D. Bloor
Download or read book The Structure, Dynamics and Equilibrium Properties of Colloidal Systems written by D. Bloor and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 869 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Study Institute on Properties of Colloidal Systems, Aberystwyth, Wales, U.K., September 10-23, 1989
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 279 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.
Book Synopsis Introduction to Non-equilibrium Physical Chemistry by : R. P. Rastogi
Download or read book Introduction to Non-equilibrium Physical Chemistry written by R. P. Rastogi and published by Elsevier. This book was released on 2007-10-16 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Non-equilibrium Physical Chemistry presents a critical and comprehensive account of Non-equilibrium Physical Chemistry from theoretical and experimental angle. It covers a wide spectrum of non-equilibrium phenomena from steady state close to equilibrium to non-linear region involving transition to bistability, temporal oscillations, spatio-temporal oscillations and finally to far from equilibrium phenomena such as complex pattern formation, dynamic instability at interfaces, Chaos and complex growth phenomena (fractals) in Physico-chemical systems. Part I of the book deals with theory and experimental studies concerning transport phenomena in membranes (Thermo-osmosis,Electroosmotic ) and in continuous systems (Thermal diffusion,Soret effect) close to equilibrium Experimental tests provide insight into the domain of validity of Non-equilibrium Thermodynamics ,which is the major theoretical tool for this region. Later developments in Extended Irreversible Thermodynamics and Non-equilibrium Molecular dynamics have been discussed in the Appendix. Part II deals with non-linear steady states and bifurcation to multistability, temporal and spatio- temporal oscillations (Chemical waves). Similarly Part II deals with more complex phenomena such as Chaos and fractal growth occurring in very far from equilibrium region. Newer mathematical techniques for investigating such phenomena along with available experimental studies. Part IV deals with analogous non-equilibrium phenomena occurring in the real systems (Socio-political, Finance and Living systems etc.) for which physico-chemical systems discussed in earlier chapters provide a useful model for development of theories based on non-linear science and science of complexity. - The book provides a critical account of theoretical studies on non-equilibrium phenomenon from region close to equilibrium to far equilibrium - Experimental studies have been reported which provide test of the theories and their limitations - Impacts of the concepts developed in non-equilibrium Physical Chemistry in sociology, economics and other social science and living systems has been discussed
Book Synopsis Supramolecular Photochemistry by : Vincenzo Balzani
Download or read book Supramolecular Photochemistry written by Vincenzo Balzani and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 479 pages. Available in PDF, EPUB and Kindle. Book excerpt: The intellectual and utilitarian opportunities that lie at the frontiers of chemistry have been recently emphasized by the Pimentel Report. Such report recommends that in the field of chemical research priority should be given to "understanding chemical reactivity" and proposes initiatives aimed at the clarification of factors that control the rates of reaction and the development of new synthetic pathways for chemical change. In the broad field of chemical reactivity, a discipline that has grown with an extraordinary rate is photochemistry. Since the knowledge of the photochemical properties at the molecular level has made a substantial progress in the last few years, there is currently a trend to study more and more complex photochemical systems. In particular, an emerging and rapidly expanding branch of photochemistry is that concerning studies of assemblies of molecular components properly combined so as to obtain light-induced functions (supramolecular photochemistry). Although much of the current work in supramolecular photochemistry is fundamental in nature, it is clear that progress in this field will be most rewarding for several applications concerning the interaction of light with matter. In particular, it will allow us to pursue research aimed at the photochemical conversion of solar energy by means of artificial systems and to make progress towards futuristic branches of science called "photonics" (photo-generated electron migration processes on a molecular basis) and "chemionics" (design of components, circuitry, and information treatment at the molecular level).
Book Synopsis Equilibrium Structural Parameters by :
Download or read book Equilibrium Structural Parameters written by and published by Elsevier Science. This book was released on 1999-11-30 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The current volume in the series, Vibrational Spectra and Structure, is a single topic volume on gas phase structural parameters. The title of the volume, Equilibrium Structural Parameters, covers the two most common techniques for obtaining gas phase structural parameters: microwave spectroscopy and the electron diffraction technique. Since the quantum chemical method provides equilibrium geometries, the volume is an attempt to provide a connection between the experimental and theoretical parameters. The book provides a review on molecular structure determinations from spectroscopic data using scaled moments of inertia. The limited number of molecules for which equilibrium parameters have been obtained and the requirement of a large number of microwave data needed to obtain the equilibrium structural parameters is noted. Electron diffraction technique is reviewed, along with a description of how this can incorporate structural information from microwave spectroscopy, vibrational spectroscopy, or theoretical calculations to improve the determination of the structural parameters by electron diffraction studies. Also discussed are the theory and methods of microwave spectroscopy, describing in some detail ro and rs structures as well as rm structures and corrections based on ab initio calculations. The accuracy of the molecular geometry predictions by quantum chemical methods is considered in some detail with data presented in graphic rather than tabular form. This makes it possible to readily note the difference in the parameters predicted at the various levels of quantum mechanical calculations. The four authors have provided a coherent description of the various structural parameters obtained experimentally along with treatments needed to extract equilibrium bond distances and angles.
Book Synopsis The Principles of Chemical Equilibrium by : Kenneth George Denbigh
Download or read book The Principles of Chemical Equilibrium written by Kenneth George Denbigh and published by Cambridge University Press. This book was released on 1981-03-26 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sample Text
Book Synopsis Advances in Molecular Structure Research by :
Download or read book Advances in Molecular Structure Research written by and published by Elsevier. This book was released on 1996-03-20 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Molecular Structure Research
Download or read book University Physics written by OpenStax and published by . This book was released on 2016-11-04 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: University Physics is a three-volume collection that meets the scope and sequence requirements for two- and three-semester calculus-based physics courses. Volume 1 covers mechanics, sound, oscillations, and waves. Volume 2 covers thermodynamics, electricity and magnetism, and Volume 3 covers optics and modern physics. This textbook emphasizes connections between between theory and application, making physics concepts interesting and accessible to students while maintaining the mathematical rigor inherent in the subject. Frequent, strong examples focus on how to approach a problem, how to work with the equations, and how to check and generalize the result. The text and images in this textbook are grayscale.
Book Synopsis Process Systems Engineering for Biofuels Development by : Adrian Bonilla-Petriciolet
Download or read book Process Systems Engineering for Biofuels Development written by Adrian Bonilla-Petriciolet and published by John Wiley & Sons. This book was released on 2020-07-23 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive overview of current developments and applications in biofuels production Process Systems Engineering for Biofuels Development brings together the latest and most cutting-edge research on the production of biofuels. As the first book specifically devoted to process systems engineering for the production of biofuels, Process Systems Engineering for Biofuels Development covers theoretical, computational and experimental issues in biofuels process engineering. Written for researchers and postgraduate students working on biomass conversion and sustainable process design, as well as industrial practitioners and engineers involved in process design, modeling and optimization, this book is an indispensable guide to the newest developments in areas including: Enzyme-catalyzed biodiesel production Process analysis of biodiesel production (including kinetic modeling, simulation and optimization) The use of ultrasonification in biodiesel production Thermochemical processes for biomass transformation to biofuels Production of alternative biofuels In addition to the comprehensive overview of the subject of biofuels found in the Introduction of the book, the authors of various chapters have provided extensive discussions of the production and separation of biofuels via novel applications and techniques.
