Organic Quantum Chemistry Problems PDF Download
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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: R. Zahradnik
Publisher:
ISBN: 9781468484601
Category :
Languages : en
Pages : 236
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Book Description
Author: Howard E. Zimmerman
Publisher:
ISBN: 9780127816517
Category : Chemistry, Organic
Languages : en
Pages : 230
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Book Description
Author: Charles S. Johnson
Publisher: Courier Corporation
ISBN: 0486151530
Category : Science
Languages : en
Pages : 750
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Book Description
Unusually varied problems, with detailed solutions, cover quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.
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: R. Davis
Publisher:
ISBN:
Category : Chemistry, Organic
Languages : en
Pages : 140
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Book Description
Author: R. K. Prasad
Publisher: New Age International
ISBN: 9788122411140
Category : Quantum chemistry
Languages : en
Pages : 398
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Book Description
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.
Author: Howard Zimmerman
Publisher: Elsevier
ISBN: 0323159745
Category : Science
Languages : en
Pages : 226
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Book Description
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.
Author: John Lowe
Publisher: Elsevier
ISBN: 0323141161
Category : Science
Languages : en
Pages : 618
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Book Description
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.
Author: Peter Hedvig
Publisher: Elsevier
ISBN: 0323146805
Category : Science
Languages : en
Pages : 534
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Book Description
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.
