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Quantum Chemistry

Quantum Chemistry PDF
Author: Donald A. McQuarrie
Publisher: University Science Books
ISBN: 9781891389504
Size: 18.33 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 690
View: 3486

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Quantum Chemistry

by Donald A. McQuarrie, Quantum Chemistry Books available in PDF, EPUB, Mobi Format. Download Quantum Chemistry books, The biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie presents step-by-step SCF calculations of a helium atom and a hydrogen molecule, in addition to including the Hartree-Fock method and post-Hartree-Fock methods.




Modern Quantum Chemistry

Modern Quantum Chemistry PDF
Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486691861
Size: 15.48 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 466
View: 5179

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Modern Quantum Chemistry

by Attila Szabo, Modern Quantum Chemistry Books available in PDF, EPUB, Mobi Format. Download Modern Quantum Chemistry books, 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.




Ideas Of Quantum Chemistry

Ideas of Quantum Chemistry PDF
Author: Lucjan Piela
Publisher: Elsevier
ISBN: 9780080466767
Size: 58.83 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 1120
View: 701

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Ideas Of Quantum Chemistry

by Lucjan Piela, Ideas Of Quantum Chemistry Books available in PDF, EPUB, Mobi Format. Download Ideas Of Quantum Chemistry books, Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet. * Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics




Principles And Applications Of Quantum Chemistry

Principles and Applications of Quantum Chemistry PDF
Author: V.P. Gupta
Publisher: Academic Press
ISBN: 0128035013
Size: 43.64 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 478
View: 2940

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Principles And Applications Of Quantum Chemistry

by V.P. Gupta, Principles And Applications Of Quantum Chemistry Books available in PDF, EPUB, Mobi Format. Download Principles And Applications Of Quantum Chemistry books, 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




Elementary Quantum Chemistry

Elementary Quantum Chemistry PDF
Author: Frank L. Pilar
Publisher: Courier Corporation
ISBN: 9780486414645
Size: 15.23 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 599
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Elementary Quantum Chemistry

by Frank L. Pilar, Elementary Quantum Chemistry Books available in PDF, EPUB, Mobi Format. Download Elementary Quantum Chemistry books, Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.




Fundamentals Of Quantum Chemistry

Fundamentals of Quantum Chemistry PDF
Author: J. E. House
Publisher: Academic Press
ISBN: 9780123567710
Size: 23.27 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 291
View: 7698

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Fundamentals Of Quantum Chemistry

by J. E. House, Fundamentals Of Quantum Chemistry Books available in PDF, EPUB, Mobi Format. Download Fundamentals Of Quantum Chemistry books, This is a self-contained student-friendly introduction to the key concepts of quantum chemistry. The math is developed as needed and motivated by the concepts themselves. (Midwest).




Relativistic Quantum Chemistry

Relativistic Quantum Chemistry PDF
Author: Markus Reiher
Publisher: John Wiley & Sons
ISBN: 3527334157
Size: 66.22 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 750
View: 6664

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Relativistic Quantum Chemistry

by Markus Reiher, Relativistic Quantum Chemistry Books available in PDF, EPUB, Mobi Format. Download Relativistic Quantum Chemistry books, The second edition of Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science expands on some of the latest developments in this fascinating field. The text retains its clear and consistent style, allowing for a readily accessible overview of the complex topic. It is also self-contained, building on the fundamental equations and providing the mathematical background necessary. While some parts of the text have been restructured for the sake of clarity a significant amount of new content has also been added. This includes, for example, an in-depth discussion of the Brown-Ravenhall disease, of spin in current-density functional theory, and of exact two-component methods and its local variants. A strength of the first edition of this textbook was its list of almost 1000 references to the original research literature, which has made it a valuable reference also for experts in the field.




Quantum Chemistry

Quantum Chemistry PDF
Author: R.K. Prasad
Publisher: New Age International
ISBN: 9788122412642
Size: 37.32 MB
Format: PDF, Docs
Category :
Languages : en
Pages : 572
View: 670

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Quantum Chemistry

by R.K. Prasad, Quantum Chemistry Books available in PDF, EPUB, Mobi Format. Download Quantum Chemistry books,




Quantum Chemistry Of Organic Compounds

Quantum Chemistry of Organic Compounds PDF
Author: Vladimir I. Minkin
Publisher: Springer
ISBN: 9783642756818
Size: 31.16 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 270
View: 5053

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Quantum Chemistry Of Organic Compounds

by Vladimir I. Minkin, Quantum Chemistry Of Organic Compounds Books available in PDF, EPUB, Mobi Format. Download Quantum Chemistry Of Organic Compounds books, 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.




Quantum Chemistry Through Problems Solutions

Quantum Chemistry  Through Problems   Solutions PDF
Author: R. K. Prasad
Publisher: New Age International
ISBN: 9788122411140
Size: 67.48 MB
Format: PDF
Category : Quantum chemistry
Languages : en
Pages : 388
View: 1674

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Quantum Chemistry Through Problems Solutions

by R. K. Prasad, Quantum Chemistry Through Problems Solutions Books available in PDF, EPUB, Mobi Format. Download Quantum Chemistry Through Problems Solutions books, 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.