Download or read book Orbital Symmetry Papers written by Howard E. Simmons and published by . This book was released on 1974 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Orbital Symmetry Papers written by Howard E. Simmons and published by . This book was released on 1974 with total page 365 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Applications of Orbital Symmetry written by G.L. Goe and published by . This book was released on 1976 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Frontier Orbitals And Reaction Paths Selected Papers Of Kenichi Fukui written by Hiroshi Fujimoto and published by World Scientific. This book was released on 1997-11-26 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a collection of selected papers on the Frontier Orbital Theory by Nobel prizewinner Kenichi Fukui (Chemistry 1981), with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.
Download or read book Organic Reactions and Orbital Symmetry written by T. L. Gilchrist and published by Cambridge University Press. This book was released on 1979-09-13 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 1979 as the second edition of a 1972 original, this textbook provides a systematic account of an important area of organic chemistry - that of cycloadditions and molecular rearrangements. The necessary theoretical background for understanding these reactions is presented in non-mathematical form and various alternative approaches to the theory are compared. The core of the book is a descriptive account of various types of cycloaddition and rearrangement reactions. The synthetic importance of these reactions is emphasised and, by providing the mechanistic background, the book demonstrates to the reader the relationship between the different types of reactions. This book will be of value to anyone with an interest in organic chemistry.
Download or read book Symmetry through the Eyes of a Chemist written by Magdolna Hargittai and published by Springer Science & Business Media. This book was released on 2009-02-28 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is gratifying to launch the third edition of our book. Its coming to life testi?es about the task it has ful?lled in the service of the com- nity of chemical research and learning. As we noted in the Prefaces to the ?rst and second editions, our book surveys chemistry from the point of view of symmetry. We present many examples from ch- istry as well as from other ?elds to emphasize the unifying nature of the symmetry concept. Our aim has been to provide aesthetic pl- sure in addition to learning experience. In our ?rst Preface we paid tribute to two books in particular from which we learned a great deal; they have in?uenced signi?cantly our approach to the subject matter of our book. They are Weyl’s classic, Symmetry, and Shubnikov and Koptsik’s Symmetry in Science and Art. The structure of our book has not changed. Following the Int- duction (Chapter 1), Chapter 2 presents the simplest symmetries using chemical and non-chemical examples. Molecular geometry is discussed in Chapter 3. The next four chapters present gro- theoretical methods (Chapter 4) and, based on them, discussions of molecular vibrations (Chapter 5), electronic structures (Chapter 6), and chemical reactions (Chapter 7). For the last two chapters we return to a qualitative treatment and introduce space-group sym- tries (Chapter 8), concluding with crystal structures (Chapter 9). For the third edition we have further revised and streamlined our text and renewed the illustrative material.
Download or read book Frontier Orbitals and Organic Chemical Reactions written by Ian Fleming and published by John Wiley & Sons. This book was released on 1976-01-01 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a basic introduction to frontier orbital theory with a review of its applications in organic chemistry. Assuming the reader is familiar with the concept of molecular orbital as a linear combination of atomic orbitals the book is presented in a simple style, without mathematics making it accessible to readers of all levels.
Download or read book Orbital Symmetry written by Roland E. Lehr, Alan P. Marchand and published by . This book was released on 1972 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Orbital Symmetry and Reaction Mechanism written by Emil Amitai Halevi and published by . This book was released on 1992 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work presents a coherent set of operational rules for the analysis of scope and reliability in orbital symmetry and is written from the viewpoint of Orbital Correspondence Analysis in Maximum Symmetry (OCAMS).
Download or read book Mirror Symmetry written by Kentaro Hori and published by American Mathematical Soc.. This book was released on 2003 with total page 954 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thorough and detailed exposition is the result of an intensive month-long course on mirror symmetry sponsored by the Clay Mathematics Institute. It develops mirror symmetry from both mathematical and physical perspectives with the aim of furthering interaction between the two fields. The material will be particularly useful for mathematicians and physicists who wish to advance their understanding across both disciplines. Mirror symmetry is a phenomenon arising in string theory in which two very different manifolds give rise to equivalent physics. Such a correspondence has significant mathematical consequences, the most familiar of which involves the enumeration of holomorphic curves inside complex manifolds by solving differential equations obtained from a ``mirror'' geometry. The inclusion of D-brane states in the equivalence has led to further conjectures involving calibrated submanifolds of the mirror pairs and new (conjectural) invariants of complex manifolds: the Gopakumar-Vafa invariants. This book gives a single, cohesive treatment of mirror symmetry. Parts 1 and 2 develop the necessary mathematical and physical background from ``scratch''. The treatment is focused, developing only the material most necessary for the task. In Parts 3 and 4 the physical and mathematical proofs of mirror symmetry are given. From the physics side, this means demonstrating that two different physical theories give isomorphic physics. Each physical theory can be described geometrically, and thus mirror symmetry gives rise to a ``pairing'' of geometries. The proof involves applying $R\leftrightarrow 1/R$ circle duality to the phases of the fields in the gauged linear sigma model. The mathematics proof develops Gromov-Witten theory in the algebraic setting, beginning with the moduli spaces of curves and maps, and uses localization techniques to show that certain hypergeometric functions encode the Gromov-Witten invariants in genus zero, as is predicted by mirror symmetry. Part 5 is devoted to advanced topi This one-of-a-kind book is suitable for graduate students and research mathematicians interested in mathematics and mathematical and theoretical physics.
Download or read book Quantum Chemistry in the Age of Machine Learning written by Pavlo O. Dral and published by Elsevier. This book was released on 2022-09-16 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. Compiles advances of machine learning in quantum chemistry across different areas into a single resource Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry
Download or read book The Conservation of Orbital Symmetry written by R. B. Woodward and published by Elsevier. This book was released on 2013-10-22 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Conservation of Orbital Symmetry examines the principle of conservation of orbital symmetry and its use. The central content of the principle was that reactions occur readily when there is congruence between orbital symmetry characteristics of reactants and products, and only with difficulty when that congruence does not obtain—or to put it more succinctly, orbital symmetry is conserved in concerted reaction. This principle is expected to endure, whatever the language in which it may be couched, or whatever greater precision may be developed in its application and extension. The book opens with a review of the elementary aspects of the molecular orbital theory of bonding. This is followed by separate chapters on correlation diagrams, the conservation of orbital symmetry, theory of electrocyclic reactions, theory of cycloadditions and cycloreversions, and theory of sigmatropic reactions. Subsequent chapters deal with group transfers and eliminations; secondary conformational effects in concerted cycloaddition reactions; and generalized selection rules for pericyclic reactions.
Download or read book Symmetry through the Eyes of a Chemist written by Istvan Hargittai and published by Springer Science & Business Media. This book was released on 2007-08-29 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: We have been gratified by the warm reception of our book, by reviewers, colleagues, and students alike. Our interest in the subject matter of this book has not decreased since its first appearance; on the contrary. The first and second editions envelop eight other symmetry-related books in the creation of which we have participated: I. Hargittai (ed.), Symmetry: Unifying Human Understanding, Pergamon Press, New York, 1986. I. Hargittai and B. K. Vainshtein (eds.), Crystal Symmetries. Shubnikov Centennial Papers, Pergamon Press, Oxford, 1988. M. Hargittai and I. Hargittai, Fedezziikf6l a szimmetri6t! (Discover Sym- try, in Hungarian), Tank6nyvkiad6, Budapest, 1989. I. Hargittai (ed.), Symmetry 2: Unifying Human Understanding, Pergamon Press, Oxford, 1989. I. Hargittai (ed.), Quasicrystals, Networks, and Molecules of Fivefold Sym- try, VCH, New York, 1990. I. Hargittai (ed.), Fivefold Symmetry, World Scientific, Singapore, 1992. I. Hargittai and C. A. Pickover (eds.), Spiral Symmetry, World Scientific, Singapore, 1992. I. Hargittai and M. Hargittai, Symmetry: A Unifying Concept, Shelter Publi- tions, Bolinas, California, 1994. We have also pursued our molecular structure research, and some books have appeared related to these activities: vi Preface to the Second Edition I. Hargittai and M. Hargittai (eds.), Stereochemical Applications of Gas-Phase Electron Diffraction, Parts A and B, VCH, New York, 1988. R. Gillespie and I. Hargittai, VSEPR Model of Molecular Geometry, Allyn and Bacon, Boston, 1991. A. Domenicano and I. Hargittai (eds.), Accurate Molecular Structures, Oxford University Press, Oxford, 1992.
Download or read book An Introduction to Conservation of Orbital Symmetry written by Anthony J. Bellamy and published by Longman Publishing Group. This book was released on 1974 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Supplement for Symmetry Orbitals and Spectra written by Milton Orchin and published by . This book was released on 1971 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Linus Pauling Selected Scientific Papers In 2 Volumes Volume 1 written by Barclay Kamb and published by World Scientific. This book was released on 2001-11-02 with total page 864 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linus Pauling wrote a stellar series of over 800 scientific papers spanning an amazing range of fields, some of which he himself initiated. This book is a selection of the most important of his writings in the fields of quantum mechanics, chemical bonding (covalent, ionic, metallic, and hydrogen bonding), molecular rotation and entropy, protein structure, hemoglobin, molecular disease, molecular evolution, the antibody mechanism, the molecular basis of anesthesia, orthomolecular medicine, radiation chemistry/biology, and nuclear structure. Through these papers the reader gets a fresh, unfiltered view of the genius of Pauling's many contributions to chemistry, chemical physics, molecular biology, and molecular medicine.
Download or read book Orbital Interaction Theory of Organic Chemistry written by Arvi Rauk and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical introduction to orbital interaction theory and its applications in modern organic chemistry Orbital interaction theory is a conceptual construct that lies at the very heart of modern organic chemistry. Comprising a comprehensive set of principles for explaining chemical reactivity, orbital interaction theory originates in a rigorous theory of electronic structure that also provides the basis for the powerful computational models and techniques with which chemists seek to describe and exploit the structures and thermodynamic and kinetic stabilities of molecules. Orbital Interaction Theory of Organic Chemistry, Second Edition introduces students to the fascinating world of organic chemistry at the mechanistic level with a thoroughly self-contained, well-integrated exposition of orbital interaction theory and its applications in modern organic chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive intermediates in terms of orbital interaction theory. Aided by numerous examples and worked problems, he guides readers through basic chemistry concepts, such as acid and base strength, nucleophilicity, electrophilicity, and thermal stability (in terms of orbital interactions), and describes various computational models for describing those interactions. Updated and expanded, this latest edition of Orbital Interaction Theory of Organic Chemistry includes a completely new chapter on organometallics, increased coverage of density functional theory, many new application examples, and worked problems. The text is complemented by an interactive computer program that displays orbitals graphically and is available through a link to a Web site. Orbital Interaction Theory of Organic Chemistry, Second Edition is an excellent text for advanced-level undergraduate and graduate students in organic chemistry. It is also a valuable working resource for professional chemists seeking guidance on interpreting the quantitative data produced by modern computational chemists.
