Organic Quantum Chemistry Problems

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Publisher : Springer Science & Business Media
ISBN 13 : 1468484591
Total Pages : 228 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Organic Quantum Chemistry Problems by : R. Zahradnik

Download or read book Organic Quantum Chemistry Problems written by R. Zahradnik and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: This collection of examples of the application of quantum chemical methods in the study of various chemical problems (main ly in organic chemistry) arose from an arrangement of the ma terials used by the first of the authors in his lectures on organic quantum chemistry and chemical constitution, delivered since 1959 at the Science Department of the Charles University, as well as in courses of quantum chemistry and, finally, in his lectures on the fundamentals of quantum chemistry held in the years 1965-1967 at the universities of Wiirzburg, Groningen, and Giessen, and at the Technical University of Darmstadt. This collection is to be regarded as a supplement to exist ing textbooks on organic quantum chemistry. Whereas the situa tion is satisfactory as far as the number and the standard of text books and monographs in this field are concerned, this cannot be 1 4 said of the collections of examples. Although in some books - a certain number of examples are presented, we believe, in view of the great importance of numerical calculations, that a separate publication of examples would be useful. A similar subject has 5 been dealt with in the recently published book by A. and 0. Julg and in the first part of a trilogy to be published by Heilbronner 6 and Bock.

Organic Quantum Chemistry Problems

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Publisher :
ISBN 13 : 9781468484601
Total Pages : 236 pages
Book Rating : 4.4/5 (846 download)

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Book Synopsis Organic Quantum Chemistry Problems by : R. Zahradnik

Download or read book Organic Quantum Chemistry Problems written by R. Zahradnik and published by . This book was released on 1972-01-01 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Spectral Problems in Organic Chemistry

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Publisher :
ISBN 13 :
Total Pages : 140 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Spectral Problems in Organic Chemistry by : R. Davis

Download or read book Spectral Problems in Organic Chemistry written by R. Davis and published by . This book was released on 1984 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The Art of Problem Solving in Organic Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 1118829638
Total Pages : 480 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis The Art of Problem Solving in Organic Chemistry by : Miguel E. Alonso-Amelot

Download or read book The Art of Problem Solving in Organic Chemistry written by Miguel E. Alonso-Amelot and published by John Wiley & Sons. This book was released on 2014-06-26 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: This long-awaited new edition helps students understand and solve the complex problems that organic chemists regularly face, using a step-by-step method and approachable text. With solved and worked-through problems, the author orients discussion of each through the application of various problem-solving techniques. Teaches organic chemists structured and logical techniques to solve reaction problems and uses a unique, systematic approach. Stresses the logic and strategy of mechanistic problem solving -- a key piece of success for organic chemistry, beyond just specific reactions and facts Has a conversational tone and acts as a readable and approachable workbook allowing reader involvement instead of simply straightforward text Uses 60 solved and worked-through problems and reaction schemes for students to practice with, along with updated organic reactions and illustrated examples Includes website with supplementary material for chapters and problems: http://tapsoc.yolasite.com

Quantum Chemistry: Through Problems & Solutions

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Publisher : New Age International
ISBN 13 : 9788122411140
Total Pages : 398 pages
Book Rating : 4.4/5 (111 download)

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Book Synopsis Quantum Chemistry: Through Problems & Solutions by : R. K. Prasad

Download or read book Quantum Chemistry: Through Problems & Solutions written by R. K. Prasad and published by New Age International. This book was released on 1997 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Book Supplements The Author'S Text On Quantum Chemistry. It Helps, Through Exercises, Illustrations And Numerical Examples, In Clearer Understanding Of The Subject And Development Of The Proper Kind Of Intuition. The Collection Of Problems For Which Solutions Are Also Provided, It Is Believed, Is Unique. There Is A Wider Range Of Applications In Each Chapter Than Can Be Found In Any Text. Each Chapter Begins With A Brief Introduction And Is Followed By Problems Of Increasing Difficulty. Besides A Number Of More Or Less Standard Problems, Some Standard Topics, E.G. Harmonic Oscillator, Have Been Presented In The Problem-And-Answer Format. The Book Is A Self Educator For Those Undergoing Courses In Quantum Chemistry And A Lever For Those Desirous Of Taking Up Research In The Subtle Areas Of Fundamental Chemistry.

Experimental Quantum chemistry

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Publisher : Elsevier
ISBN 13 : 0323146805
Total Pages : 534 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Experimental Quantum chemistry by : Peter Hedvig

Download or read book Experimental Quantum chemistry written by Peter Hedvig and published by Elsevier. This book was released on 2012-12-02 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Experimental Quantum Chemistry is a comprehensive account of experimental quantum chemistry and covers topics ranging from basic quantum theory to atoms and ions, photons, electrons, and positrons. Nuclei, molecules, and free radicals are also discussed. This volume is comprised of eight chapters and begins with an overview of the basic experiments and ideas leading to the development of quantum theory, with special emphasis on the problems of chemistry. The main properties of electromagnetic radiation are then considered, along with the most important relations of electrons and positrons in chemistry; the quantum theory of isolated atoms and ions; the structure of nuclei and the main applications to organic chemistry; and the chemical structure and reactivity of molecules. The theoretical and experimental aspects of interpreting free radical structures on the basis of the molecular orbital and valence bond theories are also explored. The final chapter is devoted to the chemistry of the organic solid state, paying particular attention to the structure and molecular mobilities of organic solids, collective crystal states (excitons, phonons, and polaritons), energy transfer processes, and reactions in the solid state. This book should be of interest to physicists and organic chemists.

Quantum Chemistry

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Publisher : Elsevier
ISBN 13 : 0323141161
Total Pages : 618 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Quantum Chemistry by : John Lowe

Download or read book Quantum Chemistry written by John Lowe and published by Elsevier. This book was released on 2012-12-02 with total page 618 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum Chemistry covers the basic principles, methods, and results of quantum chemistry, providing insights on electron behavior. This book is organized into 14 chapters that focus on ground state molecular orbital theory. After briefly dealing with some of the concepts of classical physics, the book goes on describing some simple but important particle systems. It then examines several systems with discontinuous potential energies, such as the simple harmonic oscillator and the hydrogen-like ion system. A chapter presents a set of postulates and theorems that form the formal foundation of quantum mechanics. Considerable chapters are devoted to various quantum chemical methods, as well as their basic features and application to molecular orbital evaluation. These methods include Huckel molecular orbital, variation, linear variation, extended Huckel, and SCF-LCAO-MO. The concluding chapters deal with the development of theories for molecular orbital, including time-independent Rayleigh-Schrodinger perturbation, group, and qualitative molecular orbital theories. Supplemental texts of the more complicated derivations or proofs and problems encountered in quantum chemistry are also provided. This book is an introductory text intended for organic, inorganic, and physical chemists, as well as for graduate and undergraduate students.

Computational Organic Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 1118291921
Total Pages : 653 pages
Book Rating : 4.1/5 (182 download)

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Book Synopsis Computational Organic Chemistry by : Steven M. Bachrach

Download or read book Computational Organic Chemistry written by Steven M. Bachrach and published by John Wiley & Sons. This book was released on 2014-04-07 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry The Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers: Fundamentals of organic chemistry Pericyclic reactions Diradicals and carbenes Organic reactions of anions Solution-phase organic chemistry Organic reaction dynamics The final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition. Readers interested in exploring individual topics in greater depth should turn to the book’s ancillary website www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.

Quantum Mechanics For Organic Chemists

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Publisher : Elsevier
ISBN 13 : 0323159745
Total Pages : 226 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Quantum Mechanics For Organic Chemists by : Howard Zimmerman

Download or read book Quantum Mechanics For Organic Chemists written by Howard Zimmerman and published by Elsevier. This book was released on 2012-12-02 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum Mechanics for Organic Chemists is based on the author's first-year graduate course on quantum mechanics for Organic Chemistry majors. The book not only makes a gradual transition from elementary to advanced, but also tries an approach that allows students to have a more intuitive learning. The book covers concepts in quantum physics and topics such as the LCAO-MO Huckel Approach; group theory; and extensions, modifications, and applications of the Huckel approach. Also included in the book are the areas of three-dimensional treatments; polyelectron wave functions; the Slater determinant; and Pople's SCF equations. The text is recommended for graduate students of organic chemistry who would like to know more about the applications of quantum mechanics in their field. Quantum physicists who are interested in the field of organic chemistry would also find the book appealing.

Quantum Chemistry of Organic Compounds

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Publisher : Springer Science & Business Media
ISBN 13 : 3642756794
Total Pages : 281 pages
Book Rating : 4.6/5 (427 download)

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Book Synopsis Quantum Chemistry of Organic Compounds by : Vladimir I. Minkin

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.

QUANTAM MECHANICS

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Publisher : PHI Learning Pvt. Ltd.
ISBN 13 : 9788120310070
Total Pages : 574 pages
Book Rating : 4.3/5 (1 download)

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Book Synopsis QUANTAM MECHANICS by : B. K. AGARWAL

Download or read book QUANTAM MECHANICS written by B. K. AGARWAL and published by PHI Learning Pvt. Ltd.. This book was released on 1996-01-01 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: This well-organized and comprehensive text gives an in-depth study of the fundamental principles of Quantum Mechanics in one single volume. Appropriate for the postgraduate courses, the book deals with both relativistic and non-relativistic quantum mechanics. The distinguishing features of the text are its logical and systematic coverage of the fundamental principles and the applications of the theory, besides presentation of examples from the areas of atomic and molecular physics, solid state physics and nuclear physics. The mathematical treatment is rigorous and thorough and the text is supplemented with numerous problems, with hints provided for the difficult ones. These features make the text handy for self-study as well as for teaching.

Theory and Practice of MO Calculations on Organic Molecules

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Publisher : Elsevier
ISBN 13 : 1483100863
Total Pages : 388 pages
Book Rating : 4.4/5 (831 download)

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Book Synopsis Theory and Practice of MO Calculations on Organic Molecules by : I.G. Csizmadia

Download or read book Theory and Practice of MO Calculations on Organic Molecules written by I.G. Csizmadia and published by Elsevier. This book was released on 2016-06-23 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in Theoretical Organic Chemistry, Volume I: Theory and Practice of MO Calculations on Organic Molecules covers the theories, models, and applications of MO calculations. The book is comprised of 15 chapters that are organized into five sections. The first section provides an introductory discourse. The second section covers the theory of closed electronic shells, while the third section tackles the theory of open electronic shells. The practical aspects of MO computations and the formalisms of Roothaan’s SCF theories are also presented in the book. The text will be of great interest to organic chemists whose work involves the utilization of MO calculations on organic molecules.

Principles of Quantum Chemistry

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Publisher : Elsevier
ISBN 13 : 1483278557
Total Pages : 284 pages
Book Rating : 4.4/5 (832 download)

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Book Synopsis Principles of Quantum Chemistry by : David V. George

Download or read book Principles of Quantum Chemistry written by David V. George and published by Elsevier. This book was released on 2013-10-22 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems. This book describes chemical bonding and its two specific problems — bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum chemistry; symmetry in chemistry; and molecular-orbital theory are also covered. This publication is recommended for students taking undergraduate and graduate courses in quantum chemistry.

Problems and Solutions in Quantum Chemistry and Physics

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Publisher : Addison Wesley Publishing Company
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.:/5 (318 download)

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Book Synopsis Problems and Solutions in Quantum Chemistry and Physics by : Charles Sidney Johnson (Jr.)

Download or read book Problems and Solutions in Quantum Chemistry and Physics written by Charles Sidney Johnson (Jr.) and published by Addison Wesley Publishing Company. This book was released on 1974 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: ATOMIC PHYSICS AND THE OLD QUANTUM THEORY; WAVES AND SUPERPOSITION; POSTULATES AND FORMALISM OF QUANTUM MECHANICS; SIMPLE EXACTLY SOLUBLE PROBLEMS IN WAVE MECHANICS; ANGULAR MOMENTUM; PERTURBATION AND VARIATION THEORY; HYDROGEN LIKE ATOMS; ELECTRONIC STRUCTURE OF ATOMS; ELECTRONIC STRUCTURE OF MOLECULES; RAIATION AND MATTER; MOLECULAR SPECTROSCOPY; SCATTERING THEORY.

Basic Principles and Techniques of Molecular Quantum Mechanics

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Publisher : Springer Science & Business Media
ISBN 13 : 1468463608
Total Pages : 698 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Basic Principles and Techniques of Molecular Quantum Mechanics by : Ralph E. Christoffersen

Download or read book Basic Principles and Techniques of Molecular Quantum Mechanics written by Ralph E. Christoffersen and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt: New textbooks at all levels of chemistry appear with great regularity. Some fields like basic biochemistry, organic reaction mechanisms, and chemical thermody namics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up-to-date textbooks. The most serious needs occur in fields that are rapidly changing. Textbooks in these subjects usually have to be written by scientists actually involved in the research which is advancing the field. It is not often easy to persuade such individuals to set time aside to help spread the knowledge they have accumulated. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive introductions to their fields. These should serve the needs of one semester or one quarter graduate courses in chemistry and biochemistry. In some cases, the availability of texts in active research areas should help stimulate the creation of new courses. New York, New York CHARLES R. CANTOR Preface This book is not a traditional quantum chemistry textbook. Instead, it represents a concept that has evolved from teaching graduate courses in quantum chemistry over a number of years, and encountering students with diverse backgrounds.

Problems and Problem Solving in Chemistry Education

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Publisher : Royal Society of Chemistry
ISBN 13 : 1839163593
Total Pages : 503 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Problems and Problem Solving in Chemistry Education by : Georgios Tsaparlis

Download or read book Problems and Problem Solving in Chemistry Education written by Georgios Tsaparlis and published by Royal Society of Chemistry. This book was released on 2021-05-17 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Problem solving is central to the teaching and learning of chemistry at secondary, tertiary and post-tertiary levels of education, opening to students and professional chemists alike a whole new world for analysing data, looking for patterns and making deductions. As an important higher-order thinking skill, problem solving also constitutes a major research field in science education. Relevant education research is an ongoing process, with recent developments occurring not only in the area of quantitative/computational problems, but also in qualitative problem solving. The following situations are considered, some general, others with a focus on specific areas of chemistry: quantitative problems, qualitative reasoning, metacognition and resource activation, deconstructing the problem-solving process, an overview of the working memory hypothesis, reasoning with the electron-pushing formalism, scaffolding organic synthesis skills, spectroscopy for structural characterization in organic chemistry, enzyme kinetics, problem solving in the academic chemistry laboratory, chemistry problem-solving in context, team-based/active learning, technology for molecular representations, IR spectra simulation, and computational quantum chemistry tools. The book concludes with methodological and epistemological issues in problem solving research and other perspectives in problem solving in chemistry. With a foreword by George Bodner.

Reviews in Computational Chemistry, Volume 17

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Publisher : John Wiley & Sons
ISBN 13 : 0471458813
Total Pages : 431 pages
Book Rating : 4.4/5 (714 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY