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Author: R. Zahradnik
Publisher: Springer Science & Business Media
ISBN: 1468484591
Category : Science
Languages : en
Pages : 228
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Book Description
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.
Author: R. Zahradnik
Publisher: Springer Science & Business Media
ISBN: 1468484591
Category : Science
Languages : en
Pages : 228
Get Book Here
Book Description
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.
Author: Steven M. Bachrach
Publisher: John Wiley & Sons
ISBN: 1118291921
Category : Science
Languages : en
Pages : 653
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Book Description
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.
Author: Howard E. Zimmerman
Publisher:
ISBN: 9780127816517
Category : Chemistry, Organic
Languages : en
Pages : 230
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Book Description
Author: Vladimir I. Minkin
Publisher: Springer Science & Business Media
ISBN: 3642756794
Category : Science
Languages : en
Pages : 281
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Book Description
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: AGARWAL, B. K.
Publisher: PHI Learning Pvt. Ltd.
ISBN: 9788120310070
Category : Science
Languages : en
Pages : 574
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Book Description
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.
Author: Miguel E. Alonso-Amelot
Publisher: John Wiley & Sons
ISBN: 1118829638
Category : Science
Languages : en
Pages : 480
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Book Description
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
Author: R. Zahradnik
Publisher:
ISBN: 9781468484601
Category :
Languages : en
Pages : 236
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Book Description
Author: F. M. Menger
Publisher: Springer Science & Business Media
ISBN: 1468436651
Category : Science
Languages : en
Pages : 221
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Book Description
Most standard texts in basic organic chemistry require the student to memorize dozens of organic reactions. This is certainly necessary to master the discipline. Unfortunately, most texts do not emphasize why these reactions occur and, just as important, why other reactions that might seem conceivable to the student do not occur. Without this understanding, students tend to forget what they have memorized soon after the course is over. It is the purpose of this book to familiarize the student with the principles governing organic reactivity and to provide a "feel" for organic chemistry that is impossible to secure by memory alone. Digesting the ideas in this book will, we hope, not only explain the common organic reactions but also allow the student to predict the prod ucts and by-products of reactions he has never seen before. Indeed, the creative student might even become capable of designing new reactions as might be required in a complex organic synthesis. In Chapter 1, we cover the basic principles including bonding, nuclear charge, resonance effects, oxidation-reduction, etc. It is a brief discussion, but it nonetheless provides the basis for understanding reaction mechanisms th~t will be treated later on. We highly recommend that this material be reviewed and that the v VI PREFACE problems be worked at the end of the chapter. Answers are given to all problems. In Chapter 2, reaction mechanisms are presented in an increas ing order of difficulty.
Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 484
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Book Description
This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Author: Peter W. Atkins
Publisher: Oxford University Press
ISBN: 0199541426
Category : Science
Languages : en
Pages : 552
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Book Description
This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.
