Download or read book Molecular Structure and Energetics Studies of Organic Molecules written by Joel F. Liebman and published by Wiley-VCH. This book was released on 1986-05-19 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Studies of Organic Molecules written by Joel F. Liebman and published by . This book was released on 1986 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular structure and energetics written by and published by . This book was released on 1987 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Structure and Energetics Chemical Bonding Models written by Joel F. Liebman and published by Wiley-Interscience. This book was released on 1986-09-17 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Structure and Energetics Volume 1 Edited by Joel F. Liebman Arthur Greenberg This series has as its theme two of the most widespread, fundamental and important concepts in chemistry: molecular structure and energetics. The scope of the series ranges from species as elegantly simple as elemental boron and carbon to those as ill-defined, yet important, as atmospheric particulates; from rearrangements in clusters to the strain and aromaticity of organic molecules; from the energies of protonation of atoms and diatomic molecules to the binding of substrates to natural and synthetic enzymes. Each volume consists of chapters by leading specialists, and is focused on a common theme. Each essay provides a tutorial review which is generally in a form that blends theory and experiment as well as rigor and intuition. Volume 1, Chemical Bonding Molecules, examines nine topics in the fundamental, conceptual and theoretical framework of molecular structure and energetics. All the essays explicitly compare and interweave findings from experiment and from both calculational and qualitative theory.
Download or read book The Structure Dependent Energy of Organic Compounds written by Árpád Furka and published by Springer. This book was released on 2019-04-05 with total page 124 pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief introduces readers to an alternative thermochemical reference system that makes it possible to use the heats of formation of organic compounds to deduce the energies that depend entirely on their structures, and which provides calculated values for most of the characteristic structures appearing in organic molecules. These structure-dependent energies are provided e.g. for selected compounds of normal and cyclic alkanes, open chain and cyclic olefins (including conjugated polyenes), alkynes, aromatic hydrocarbons and their substituted derivatives. The oxygen, sulfur and nitrogen derivatives of the above-mentioned compounds are also represented with calculated structure-dependent energies including alcohols, ethers, aldehydes and ketones, carboxylic acids, thiols, sulfides, amines, amides, heterocyclic compounds and others. Most organic reactions can be interpreted as the disappearance of certain structures and formation of others. If the structure-dependent energies are known, it can be shown how the disappearing and the newly formed structures contribute to the heat of reactions and to the driving forces. As experienced by the author, who pioneered the concept, structure dependent energies can help teachers to make organic chemistry more accessible for their students. Accordingly, the brief offers a valuable resource for all those who teach organic chemistry at universities, and for those who are learning it.
Download or read book Energetics of Organic Free Radicals written by José A. Martinho Simões and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 313 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Strained Organic Molecules written by Arthur Greenberg and published by Academic Press. This book was released on 2013-10-22 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: Strained Organic Molecule, Volume 38 considers the vast field of strained organic molecules. The book discusses energy and entropy; cyclopropane and cyclobutane; and unique strained groupings or building blocks. The text also describes the aesthetics, rearrangements, and topology of polycycles; kinetic and thermodynamic stability; and tetrahedral tetracoordinate carbon. The inverted tetrahedra, propellanes, buttaflanes, and paddlanes; planar methane and its derivatives; and five- and six-coordinaste carbon are also considered. Chemists will find the book invaluable.
Download or read book Molecular Structure written by Norman L. Allinger and published by John Wiley & Sons. This book was released on 2010-12-15 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Download or read book Molecular Design written by A.L. Horvath and published by Elsevier. This book was released on 2012-12-02 with total page 1505 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.
Download or read book X ray Analysis and the Structure of Organic Molecules written by Jack D. Dunitz and published by Wiley-VCH. This book was released on 1995 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the second corrected reprint of â2X-Ray Analysisâ2, published in 1979 and consists of two parts. Part one is about Crystal Structure Analysis, part two deals with Molecular Structure. All the information in this volume is of considerable value especially to those engaged in, or about to embark upon, X-ray crystal structure analysis.
Download or read book Perspectives on Structure and Mechanism in Organic Chemistry written by Felix A. Carroll and published by John Wiley & Sons. This book was released on 2023-05-09 with total page 869 pages. Available in PDF, EPUB and Kindle. Book excerpt: PERSPECTIVES ON STRUCTURE AND MECHANISM IN ORGANIC CHEMISTRY “Beyond the basics” physical organic chemistry textbook, written for advanced undergraduates and beginning graduate students Based on the author’s first-hand classroom experience, Perspectives on Structure and Mechanism in Organic Chemistry uses complementary conceptual models to give new perspectives on the structures and reactions of organic compounds, with the overarching goal of helping students think beyond the simple models of introductory organic chemistry courses. Through this approach, the text better prepares readers to develop new ideas in the future. In the 3rd Edition, the author thoroughly updates the topics covered and reorders the contents to introduce computational chemistry earlier and to provide a more natural flow of topics, proceeding from substitution, to elimination, to addition. About 20% of the 438 problems have been either replaced or updated, with answers available in the companion solutions manual. To remind students of the human aspect of science, the text uses the names of investigators throughout the text and references material to original (or accessible secondary or tertiary) literature as a guide for students interested in further reading. Sample topics covered in Perspectives on Structure and Mechanism in Organic Chemistry include: Fundamental concepts of organic chemistry, covering atoms and molecules, heats of formation and reaction, bonding models, and double bonds Density functional theory, quantum theory of atoms in molecules, Marcus Theory, and molecular simulations Asymmetric induction in nucleophilic additions to carbonyl compounds and dynamic effects on reaction pathways Reactive intermediates, covering reaction coordinate diagrams, radicals, carbenes, carbocations, and carbanions Methods of studying organic reactions, including applications of kinetics in studying reaction mechanisms and Arrhenius theory and transition state theory A comprehensive yet accessible reference on the subject, Perspectives on Structure and Mechanism in Organic Chemistry is an excellent learning resource for students of organic chemistry, medicine, and biochemistry. The text is ideal as a primary text for courses entitled Advanced Organic Chemistry at the upper undergraduate and graduate levels.
Download or read book Determination of Organic Structures by Physical Methods written by E. A. Braude and published by Elsevier. This book was released on 2013-10-22 with total page 825 pages. Available in PDF, EPUB and Kindle. Book excerpt: Determination of Organic Structures by Physical Methods, Volume 1 focuses on the processes, methodologies, principles, and approaches involved in the determination of organic structures by physical methods, including infrared light absorption, thermodynamic properties, Raman spectra, and kinetics. The selection first elaborates on the phase properties of small molecules, equilibrium and dynamic properties of large molecules, and optical rotation. Discussions focus on simple acyclic compounds, carbohydrates, steroids, diffusion, viscosity, osmotic pressure, sedimentation velocity, melting and boiling points, and molar volume. The book then examines ultraviolet and visible light absorption, infrared light absorption, Raman spectra, and the theory of magnetic susceptibility. Concerns cover applications to the study of organic compounds, applications to the determination of structure, determination of thermodynamic properties, and experimental methods and evaluation of data. The text ponders on wave-mechanical theory, reaction kinetics, and dissociation constants, including dissociation of molecular addition compounds, principles of reaction kinetics, and valence-bond treatment of aromatic systems. The selection is a valuable source of data for researchers interested in the determination of organic structures by physical methods.
Download or read book Advances in Molecular Structure Research written by M. Hargittai and published by Elsevier. This book was released on 1998-08-02 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is the fourth in the series and offers both quality and breadth. As a whole it reflects two increasingly discernible trends in modern structural chemistry. One trend is that parallel to the ever increasing specialization of techniques, there is a strong interaction between the techniques. This interaction crosses the boundaries between various experiments, between the experiments and computations, experiments and theory, and organic and inorganic chemistry. The other trend is the ever increasing penetration of the most modern aspects of structural chemistry the rest of chemistry, making the demarkation of structural chemistry increasingly fuzzy which is the most welcome development from a structural chemist's point of view.
Download or read book Molecular crystals and Molecules written by A Kitaigorodsky and published by Elsevier. This book was released on 2012-12-02 with total page 571 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Molecular Structure and Energetics From Atoms to Polymers Isoelectronic Analogies written by Joel F. Liebman and published by Wiley-VCH. This book was released on 1989-06-22 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: This collection of ten articles by leading authorities makes accessible to the nonspecialist some of the newest concepts in chemistry. The contributors apply the isoelectronic principle to - fundamental rules for predicting molecular structure, - the properties of novel inorganic compounds, - the chemistry of positrons and other 'elementary' particles, - the energetics of 'inert' gas containing species, - the design of conducting polymers and electronic devices on a molecular scale. The book includes insights as diverse as the theoretical underpinning of the Valence Shell Electron Pair Repulsion (VSEPR) theory, the design of viable helium compounds and organic conductors, and the prediction of enthalpies of the formation of inorganic salts.
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.
Download or read book Molecular Aggregation written by Angelo Gavezzotti and published by OUP Oxford. This book was released on 2007 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: This title provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds.
