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Author : Howard E. Simmons
Publisher :
ISBN 13 :
Total Pages : 384 pages
Book Rating : 4.30/5 ( download)
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:
Author : Howard E. Simmons
Publisher :
ISBN 13 :
Total Pages : 365 pages
Book Rating : 4.26/5 ( download)
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:
Author : G.L. Goe
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.45/5 ( download)
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:
Author : Kenichi Fukui
Publisher : World Scientific
ISBN 13 : 981450050X
Total Pages : 564 pages
Book Rating : 4.00/5 ( download)
Download or read book Frontier Orbitals and Reaction Paths written by Kenichi Fukui and published by World Scientific. This book was released on 1997-11-26 with total page 564 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. Contents:A Molecular Orbital Theory of Reactivity in Aromatic HydrocarbonsMolecular Orbital Theory of Orientation in Aromatic, Heteroaromatic, and Other Conjugated MoleculesInterrelations of Quantum-Mechanical Quantities Concerning Chemical Reactivity of Conjugated MoleculesAn MO-Theoretical Illumination for the Principle of StereoselectionSigma-Pi Interaction Accompanied by StereoselectionAn Orbital Interaction Rationale for the Role of CatalystsA Formulation of the Reaction CoordinateThe Charge and Spin Transfers in Chemical Reaction PathsVariational Principles in a Chemical ReactionInteraction Frontier OrbitalsA Coupled Fragment Molecular Orbital Method for Interacting Systemsand other papers Readership: Theoretical and physical chemists. keywords:
Author : T. L. Gilchrist
Publisher : Cambridge University Press
ISBN 13 : 9780521220149
Total Pages : 324 pages
Book Rating : 4.49/5 ( download)
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.
Author : Magdolna Hargittai
Publisher : Springer Science & Business Media
ISBN 13 : 1402056281
Total Pages : 528 pages
Book Rating : 4.84/5 ( download)
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.
Author : Roland E. Lehr, Alan P. Marchand
Publisher :
ISBN 13 :
Total Pages : 208 pages
Book Rating : 4./5 ( download)
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:
Author : Emil Amitai Halevi
Publisher :
ISBN 13 :
Total Pages : 346 pages
Book Rating : 4.89/5 ( download)
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).
Author : Kentaro Hori
Publisher : American Mathematical Soc.
ISBN 13 : 0821829556
Total Pages : 954 pages
Book Rating : 4.54/5 ( download)
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.
Author : Pavlo O. Dral
Publisher : Elsevier
ISBN 13 : 0323886043
Total Pages : 702 pages
Book Rating : 4.48/5 ( download)
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
