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Author : V.I. Minkin
Publisher : Springer Science & Business Media
ISBN 13 : 9400914296
Total Pages : 290 pages
Book Rating : 4.4/5 (9 download)
Download or read book Molecular Design of Tautomeric Compounds written by V.I. Minkin and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : M. Rami Reddy
Publisher : Springer Science & Business Media
ISBN 13 : 9780306466762
Total Pages : 420 pages
Book Rating : 4.4/5 (667 download)
Download or read book Free Energy Calculations in Rational Drug Design written by M. Rami Reddy and published by Springer Science & Business Media. This book was released on 2001-12-31 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: Free energy calculations represent the most accurate computational method available for predicting enzyme inhibitor binding affinities. Advances in computer power in the 1990s enabled the practical application of these calculations in rationale drug design. This book represents the first comprehensive review of this growing area of research and covers the basic theory underlying the method, numerous state of the art strategies designed to improve throughput and dozen examples wherein free energy calculations were used to design and evaluate potential drug candidates.
Author :
Publisher : Elsevier
ISBN 13 : 0080493564
Total Pages : 335 pages
Book Rating : 4.0/5 (84 download)
Download or read book Advances in Heterocyclic Chemistry written by and published by Elsevier. This book was released on 2000-07-04 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: Established in 1960, Advances in Heterocyclic Chemistry is the definitive serial in the area--one of great importance to organic chemists, polymer chemists, and many biological scientists. Written by established authorities in the field, the comprehensive reviews combine descriptive chemistry and mechanistic insight and yield an understanding of how the chemistry drives the properties.
Author : Jurgen-Hinrich Fuhrhop
Publisher : CRC Press
ISBN 13 : 9780824782016
Total Pages : 618 pages
Book Rating : 4.7/5 (82 download)
Download or read book Molecular and Supramolecular Chemistry of Natural Products and Their Model Compounds written by Jurgen-Hinrich Fuhrhop and published by CRC Press. This book was released on 2000-01-03 with total page 618 pages. Available in PDF, EPUB and Kindle. Book excerpt: An assessment of the known properties of natural products and their model compounds to determine their usefulness in biological and medical experimentation, as well as in synkinetics - the reversible synthesis of noncovalent compounds. It explores new techniques such as cryoelectron and scanning force microscopy and solid-state NMR spectroscopy of membrane systems. There are 500 figures and reaction schemes.
Author : Liudmil Antonov
Publisher : John Wiley & Sons
ISBN 13 : 352765884X
Total Pages : 390 pages
Book Rating : 4.5/5 (276 download)
Download or read book Tautomerism written by Liudmil Antonov and published by John Wiley & Sons. This book was released on 2013-10-25 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering the gap between basic textbooks and over-specialized scientific publications, this is the first reference available to describe this interdisciplinary topic for PhD students and scientists starting in the field. The result is an introductory description providing suitable practical examples of the basic methods used to study tautomeric processes, as well as the theories describing the tautomerism and proton transfer phenomena. It also includes different spectroscopic methods for examining tautomerism, such as UV-VIs, time-resolved fluorescence spectroscopy, and NMR spectroscopy, plus the theoretical and practical background information. With its excellent overview of the methods, theories and examples, this is the perfect guide for any scientist dealing with tautomeric compounds in a wider context.
Author : Michael B. Smith
Publisher : John Wiley & Sons
ISBN 13 : 1119371805
Total Pages : 2146 pages
Book Rating : 4.1/5 (193 download)
Download or read book March's Advanced Organic Chemistry written by Michael B. Smith and published by John Wiley & Sons. This book was released on 2020-02-19 with total page 2146 pages. Available in PDF, EPUB and Kindle. Book excerpt: The completely revised and updated, definitive resource for students and professionals in organic chemistry The revised and updated 8th edition of March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure explains the theories of organic chemistry with examples and reactions. This book is the most comprehensive resource about organic chemistry available. Readers are guided on the planning and execution of multi-step synthetic reactions, with detailed descriptions of all the reactions The opening chapters of March's Advanced Organic Chemistry, 8th Edition deal with the structure of organic compounds and discuss important organic chemistry bonds, fundamental principles of conformation, and stereochemistry of organic molecules, and reactive intermediates in organic chemistry. Further coverage concerns general principles of mechanism in organic chemistry, including acids and bases, photochemistry, sonochemistry and microwave irradiation. The relationship between structure and reactivity is also covered. The final chapters cover the nature and scope of organic reactions and their mechanisms. This edition: Provides revised examples and citations that reflect advances in areas of organic chemistry published between 2011 and 2017 Includes appendices on the literature of organic chemistry and the classification of reactions according to the compounds prepared Instructs the reader on preparing and conducting multi-step synthetic reactions, and provides complete descriptions of each reaction The 8th edition of March's Advanced Organic Chemistry proves once again that it is a must-have desktop reference and textbook for every student and professional working in organic chemistry or related fields. Winner of the Textbook & Acadmic Authors Association 2021 McGuffey Longevity Award.
Author : Liudmil Antonov
Publisher : John Wiley & Sons
ISBN 13 : 3527339957
Total Pages : 400 pages
Book Rating : 4.5/5 (273 download)
Download or read book Tautomerism written by Liudmil Antonov and published by John Wiley & Sons. This book was released on 2016-07-25 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting the substantially increased interest in tautomerism, this book demonstrates the transformation of fundamental knowledge into novel concepts and the latest applications. Each chapter introduces the theoretical background, before reviewing and critically discussing the experimental techniques and corresponding applications. Special emphasis is placed on tautomerism under unusual conditions, such as in supramolecular solids and at surfaces, displaying the wide scope between basic research and timely applications.
Author : Vladimir I. Minkin
Publisher : Springer Science & Business Media
ISBN 13 : 3642756794
Total Pages : 281 pages
Book Rating : 4.6/5 (427 download)
Download or read book Quantum Chemistry of Organic Compounds written by Vladimir I. Minkin and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry is the science of substances (today we would say molecules) and their transformations. Central to this science is the complexity of shape and function of its typical representatives. There lies, no longer dependent on its vitalistic antecedents, the rich realm of molecular possibility called organic chemistry. In this century we have learned how to determine the three-dimensional structure of molecules. Now chemistry as whole, and organic chemistry in particular, is poised to move to the exploration of its dynamic dimension, the busy business of transformations or reactions. Oh, it has been done all along, for what else is synthesis? What I mean is that the theoretical framework accom panying organic chemistry, long and fruitfully laboring on a quantum chemical understanding of structure, is now making the first tentative motions toward building an organic theory of reactivity. The Minkin, Simkin, Minyaev book takes us in that direction. It incorporates the lessons of frontier orbital theory and of Hartree-Fock SCF calculations; what chemical physicists have learned about trajectory calculations of selected reactions, and a simplified treatment of all-important solvent effects. It is written by professional, accomplished organic chemists for other organic chemists; it is consistently even-toned in its presentation of contending approaches. And very much up to date. That this contemporary work should emerge from a regional university in a country in which science has been highly centralized and organic chemistry not very modern, invites reflection.
Author : R. Tycko
Publisher : Springer Science & Business Media
ISBN 13 : 9780792327950
Total Pages : 574 pages
Book Rating : 4.3/5 (279 download)
Download or read book Nuclear Magnetic Resonance Probes of Molecular Dynamics written by R. Tycko and published by Springer Science & Business Media. This book was released on 1994-11-30 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear Magnetic Resonance Probes of Molecular Dynamics describes the theoretical basis and experimental techniques that make modern NMR spectroscopy a powerful and flexible tool for probing molecular dynamics in chemical, physical, and biochemical systems. Individual chapters, written by leaders in the development and application of NMR from around the world, treat systems that range from synthetic polymers, liquid crystals, and catalysts to proteins and oligonucleotides and techniques that include deuterium NMR, magic angle spinning, multidimensional spectroscopy, and magnetic resonance imaging. A combination of elementary and advanced material makes the book a useful introduction to the field for students at the graduate level as well as an important reference for practising NMR spectroscopists.
Author :
Publisher : ScholarlyEditions
ISBN 13 : 1464966591
Total Pages : 428 pages
Book Rating : 4.4/5 (649 download)
Download or read book Issues in Applied Computing: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Applied Computing / 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Applied Computing. The editors have built Issues in Applied Computing: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Applied Computing in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Applied Computing: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Author : Paul G. Mezey
Publisher : Springer Science & Business Media
ISBN 13 : 940113698X
Total Pages : 296 pages
Book Rating : 4.4/5 (11 download)
Download or read book New Developments in Molecular Chirality written by Paul G. Mezey and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular chirality is one of the fundamental aspects of chemistry. Chirality properties of molecules have implications in a wide variety of subjects, ranging from the basic quantum mechanical properties of simple of a few atoms to molecular optical activity, asymmetric synthesis, systems and the folding pattern of proteins. Chirality, in both the geometrical and the topological sense, has also been the subject of investigations in various branches of mathematics. In particular, new developments in a branch of topology, called knot theory, as well as in various branches of discrete mathematics, have led to a novel perspective on the topological aspects of molecular chirality. Some of the mathematical advances have already found applications to the interpretation of new concepts in theoretical chemistry and mathematical chemistry, as well as to novel synthetic approaches leading to new molecules of exceptional structural properties. Some of the new developments in molecular chirality have been truly fundamental to the theoretical understanding and to the actual practice of many aspects of chemistry. The progress in this field has been very rapid, even accelerating in recent years, and a review appears more than justified. This book offers a selection of subjects covering some of the latest developments. Our primary aim is to clarify some of the basic concepts that are the most prone to misinterpretation and to provide brief introductions to some of those subjects that are expected to have further, important contributions to our understanding of molecular properties and chemical reactivity.
Author : Paul G. Mezey
Publisher : Springer Science & Business Media
ISBN 13 : 030646943X
Total Pages : 328 pages
Book Rating : 4.3/5 (64 download)
Download or read book Electron, Spin and Momentum Densities and Chemical Reactivity written by Paul G. Mezey and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: The electron density of a non-degenerate ground state system determines essentially all physical properties of the system. This statement of the Hohenberg–Kohn theorem of Density Functional Theory plays an exceptionally important role among all the fundamental relations of Molecular Physics. In particular, the electron density distribution and the dynamic properties of this density determine both the local and global reactivities of molecules. High resolution experimental electron densities are increasingly becoming available for more and more molecules, including macromolecules such as proteins. Furthermore, many of the early difficulties with the determination of electron densities in the vicinity of light nuclei have been overcome. These electron densities provide detailed information that gives important insight into the fundamentals of molecular structure and a better understanding of chemical reactions. The results of electron density analysis are used in a variety of applied fields, such as pharmaceutical drug discovery and biotechnology. If the functional form of a molecular electron density is known, then various molecular properties affecting reactivity can be determined by quantum chemical computational techniques or alternative approximate methods.
Author : Orlando Tapia
Publisher : Springer Science & Business Media
ISBN 13 : 9781402004179
Total Pages : 396 pages
Book Rating : 4.0/5 (41 download)
Download or read book Solvent Effects and Chemical Reactivity written by Orlando Tapia and published by Springer Science & Business Media. This book was released on 2003-07-31 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers.
Author : S. Langhoff
Publisher : Springer Science & Business Media
ISBN 13 : 9401101930
Total Pages : 451 pages
Book Rating : 4.4/5 (11 download)
Download or read book Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy written by S. Langhoff and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.
Author : B.S. Freiser
Publisher : Springer Science & Business Media
ISBN 13 : 9400901119
Total Pages : 341 pages
Book Rating : 4.4/5 (9 download)
Download or read book Organometallic Ion Chemistry written by B.S. Freiser and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: A study covering the gas-phase chemistry of organometallic ions. Topics covered include: periodic trends in gas-phase thermochemistry of transition metal-ligand systems; ab initio calculations to determine electronic structure, geometric structure, and thermochemistry of metal-containing systems; electronic state effects on metal ion reactivity; organometallic ion photochemistry; and applications of gas-phase electron transfer equilibria in organometallic redox thermochemistry. Also included are state-of-the-art mass spectrometric instrumentation used in such studies. It also features a comprehensive list (containing over 1500 entries) of metal ion-ligand bond energies, obtained from theory and experiment.
Author : J.S. Shiner
Publisher : Springer Science & Business Media
ISBN 13 : 0306469324
Total Pages : 253 pages
Book Rating : 4.3/5 (64 download)
Download or read book Entropy and Entropy Generation written by J.S. Shiner and published by Springer Science & Business Media. This book was released on 2005-11-30 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: Entropy and entropy generation play essential roles in our understanding of many diverse phenomena ranging from cosmology to biology. Their importance is manifest in areas of immediate practical interest such as the provision of global energy as well as in others of a more fundamental flavour such as the source of order and complexity in nature. They also form the basis of most modern formulations of both equilibrium and nonequilibrium thermodynamics. Today much progress is being made in our understanding of entropy and entropy generation in both fundamental aspects and application to concrete problems. The purpose of this volume is to present some of these recent and important results in a manner that not only appeals to the entropy specialist but also makes them accessible to the nonspecialist looking for an overview of the field. This book contains fourteen contributions by leading scientists in their fields. The content covers such topics as quantum thermodynamics, nonlinear processes, gravitational and irreversible thermodynamics, the thermodynamics of Taylor dispersion, higher order transport, the mesoscopic theory of liquid crystals, simulated annealing, information and biological aspects, global energy, photovoltaics, heat and mass transport and nonlinear electrochemical systems. Audience: This work will be of value to physicists, chemists, biologists and engineers interested in the theory and applications of entropy and its generation.
Author : Gábor Náray-Szabó
Publisher : Springer Science & Business Media
ISBN 13 : 9781402004155
Total Pages : 396 pages
Book Rating : 4.0/5 (41 download)
Download or read book Computational Approaches to Biochemical Reactivity written by Gábor Náray-Szabó and published by Springer Science & Business Media. This book was released on 2002-03-31 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: A quantitative description of the action of enzymes and other biological systems is both a challenge and a fundamental requirement for further progress in our und- standing of biochemical processes. This can help in practical design of new drugs and in the development of artificial enzymes as well as in fundamental understanding of the factors that control the activity of biological systems. Structural and biochemical st- ies have yielded major insights about the action of biological molecules and the mechanism of enzymatic reactions. However it is not entirely clear how to use this - portant information in a consistent and quantitative analysis of the factors that are - sponsible for rate acceleration in enzyme active sites. The problem is associated with the fact that reaction rates are determined by energetics (i. e. activation energies) and the available experimental methods by themselves cannot provide a correlation - tween structure and energy. Even mutations of specific active site residues, which are extremely useful, cannot tell us about the totality of the interaction between the active site and the substrate. In fact, short of inventing experiments that allow one to measure the forces in enzyme active sites it is hard to see how can one use a direct experimental approach to unambiguously correlate the structure and function of enzymes. In fact, in view of the complexity of biological systems it seems that only computers can handle the task of providing a quantitative structure-function correlation.
