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Author: Sason S. Shaik Publisher: John Wiley & Sons ISBN: 0470192585 Category : Science Languages : en Pages : 332
Book Description
This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.
Author: Sason S. Shaik Publisher: John Wiley & Sons ISBN: 0470192585 Category : Science Languages : en Pages : 332
Book Description
This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.
Author: David Cooper Publisher: Elsevier ISBN: 9780080543499 Category : Science Languages : en Pages : 836
Book Description
Valence bond (VB) theory, which builds the descriptions of molecules from those of its constituent parts, provided the first successful quantum mechanical treatments of chemical bonding. Its language and concepts permeate much of chemistry, at all levels. Various modern formulations of VB theory represent serious tools for quantum chemical studies of molecular electronic structure and reactivity. In physics, there is much VB-based work (particularly in semi-empirical form) on larger systems. Importance of Topic The last decade has seen significant advances in methodology and a vast increase in the range of applications, with many new researchers entering the field. Why This Title Valence Bond Theory succeeds in presenting a comprehensive selection of contributions from leading valence bond (VB) theory researchers throughout the world. It focuses on the vast increase in the range of applications of methodology based on VB theory during the last decade and especially emphasizes recent advances.
Author: Roger L. DeKock Publisher: University Science Books ISBN: 9780935702613 Category : Chemical bonds Languages : en Pages : 516
Book Description
"Designed for use in inorganic, physical, and quantum chemistry courses, this textbook includes numerous questions and problems at the end of each chapter and an Appendix with answers to most of the problems."--
Author: Fernanda Duarte Publisher: John Wiley & Sons ISBN: 1119245370 Category : Science Languages : en Pages : 264
Book Description
A comprehensive overview of current empirical valence bond (EVB) theory and applications, one of the most powerful tools for studying chemical processes in the condensed phase and in enzymes. Discusses the application of EVB models to a broad range of molecular systems of chemical and biological interest, including reaction dynamics, design of artificial catalysts, and the study of complex biological problems Edited by a rising star in the field of computational enzymology Foreword by Nobel laureate Arieh Warshel, who first developed the EVB approach
Author: V.P. Gupta Publisher: Academic Press ISBN: 0128035013 Category : Science Languages : en Pages : 478
Book Description
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools
Author: Felix A. Carroll Publisher: John Wiley & Sons ISBN: 1119808618 Category : Science Languages : en Pages : 869
Book Description
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.
Author: Ian David Brown Publisher: Oxford University Press on Demand ISBN: 0198508700 Category : Science Languages : en Pages : 289
Book Description
The bond valence model is a recently developed model of the chemical bond in inorganic chemistry that complements the bond model widely used in organic chemistry. It is simple, quantitative, intuitive, and predictive - no more than a pocket calculator is needed to calculate it. This book focuses on the theory that underlies the model, and shows how it has been used in physics, materials science, chemistry, mineralogy, soil science, and molecular biology.
Author: Disha Experts Publisher: Disha Publications ISBN: 9389187125 Category : Languages : en Pages : 780
Book Description
The thoroughly revised & updated 7th Edition of NEET 2020 Chemistry (Must for AIIMS/ JIPMER) is developed on the objective pattern following the chapter plan as per the NCERT books of class 11 and 12. • The new edition is empowered with an additional exercise which contains Exemplar & past 7 year NEET (2013 - 2019) questions. Concept Maps have been added for each chapter. • The book contains 31 chapters in all as per the NCERT books. • Each chapter provides exhaustive theory followed by a set of 2 exercises for practice. The first exercise is a basic exercise whereas the second exercise is advanced. • The solutions to all the questions have been provided immediately at the end of each chapter. The complete book has been aligned as per the chapter flow of NCERT class 11 & 12 books.
Author: Sason S. Shaik
Author: Sason S. Shaik
Author: David Cooper
Author: Gordon A. Gallup
Author: N. D. Epiotis
Author: Roger L. DeKock
Author: Fernanda Duarte
Author: V.P. Gupta
Author: Felix A. Carroll
Author: Ian David Brown
Author: Disha Experts