[PDF] Download: quantum chemistry eBook

Author: Donald A. McQuarrie
Publisher: University Science Books
ISBN: 9781891389504
Size: 50.50 MB
Format: PDF, ePub
Category : Science
Languages : en
Pages : 690
View: 2736

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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.

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Author: R.K. Prasad
Publisher: New Age International
ISBN: 9788122412642
Size: 39.40 MB
Format: PDF, ePub, Mobi
Category :
Languages : en
Pages : 572
View: 2207

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Author: Frank L. Pilar
Publisher: Courier Corporation
ISBN: 9780486414645
Size: 20.10 MB
Format: PDF, ePub
Category : Science
Languages : en
Pages : 599
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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.

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Author: Per-Olov L?wdin
Publisher: Wiley-Interscience
ISBN: 9780471025054
Size: 50.33 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 864
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Author: Henry F. Schaefer III
Publisher: Courier Corporation
ISBN: 0486151417
Size: 24.76 MB
Format: PDF, Kindle
Category : Science
Languages : en
Pages : 176
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For each of 150 landmark papers in ab initio molecular electronic structure methods, the author provides a lucid commentary that focuses on methodology, rather than particular chemical problems. 1984 edition.

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Author: Charles M. Quinn
Publisher: Academic Press
ISBN: 9780080488530
Size: 12.69 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 237
View: 860

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Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel spreadsheets to perform model calculations and investigate the properties of basis sets. Using the book together with the CD-ROM provides a unique interactive learning tool. In addition, because of the integration of theory with working examples on the CD-ROM, the reader can apply advanced features available in the spreadsheet to other applications in chemistry, physics, and a variety of disciplines that require the solution of differential equations. This book and CD-ROM makes a valuable companion for instructors, course designers, and students. It is suitable for direct applications in practical courses in theoretical chemistry and atomic physics, as well as for teaching advanced features of Excel in IT courses.

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Author: A K Chandra
Publisher: Tata McGraw-Hill Education
ISBN: 9780074620540
Size: 23.31 MB
Format: PDF, ePub
Category : Quantum chemistry
Languages : en
Pages : 390
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Author: John R. Sabin
Publisher: Academic Press
ISBN: 012386013X
Size: 36.87 MB
Format: PDF, Docs
Category : Computers
Languages : en
Pages : 386
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Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This series provides a one-stop resource for following progress in this interdisciplinary area. Publishes articles, invited reviews and proceedings of major international conferences and workshops Written by leading international researchers in quantum and theoretical chemistry Highlights important interdisciplinary developments

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Author: R. K. Prasad
Publisher: New Age International
ISBN: 9788122411140
Size: 71.87 MB
Format: PDF, Docs
Category : Quantum chemistry
Languages : en
Pages : 388
View: 1926

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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.

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Author: Tomofumi Tada
Publisher: BoD – Books on Demand
ISBN: 9535103725
Size: 57.18 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 214
View: 4478

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Molecules, small structures composed of atoms, are essential substances for lives. However, we didn't have the clear answer to the following questions until the 1920s: why molecules can exist in stable as rigid networks between atoms, and why molecules can change into different types of molecules. The most important event for solving the puzzles is the discovery of the quantum mechanics. Quantum mechanics is the theory for small particles such as electrons and nuclei, and was applied to hydrogen molecule by Heitler and London at 1927. The pioneering work led to the clear explanation of the chemical bonding between the hydrogen atoms. This is the beginning of the quantum chemistry. Since then, quantum chemistry has been an important theory for the understanding of molecular properties such as stability, reactivity, and applicability for devices. This book is devoted for the theoretical foundations and innovative applications in quantum chemistry.

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Author: Hinne Hettema
Publisher: World Scientific
ISBN: 981022771X
Size: 17.22 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 478
View: 2055

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Chemical physics is presently a very active field, where theoretical computation and accurate experimentation have led to a host of exciting new results. Among these are the possibility of state-to-state reactive scattering, the insights in non-adiabatic chemistry, and, from the computational perspective, the use of explicitly correlated functions in quantum chemistry. Many of these present-day developments use ideas, derivations and results that were obtained in the very early days of quantum theory, in the 1920s and 1930s.Much of this material is hard to study for readers not familiar with German. This volume presents English translations of some of the most important papers. The choice of material is made with the relevance to present-day researchers in mind. Included are seminal papers by M Born and J R Oppenheimer, J von Neumann and E Wigner, E A Hylleraas, F London, F Hund, H A Kramers, R de L Kronig and F Hückel, among others.

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Author: Jean Louis Rivail
Publisher:
ISBN:
Size: 57.90 MB
Format: PDF, Docs
Category :
Languages : en
Pages :
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Author: John P. Lowe
Publisher: Elsevier
ISBN: 0080470785
Size: 16.81 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 728
View: 310

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Lowe's new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate self-study and solutions to selected exercises. Assumes little initial mathematical or physical sophistication, developing insights and abilities in the context of actual problems Provides thorough treatment of the simple systems basic to this subject Emphasizes UNDERSTANDING of the techniques and results of modern quantum chemistry Treats MO theory from simple Huckel through ab intio methods in current use Develops perturbation theory through the topics of orbital interaction as well as spectroscopic selection rules Presents group theory in a context of MO applications Includes qualitative MO theory of molecular structure, Walsh rules, Woodward-Hoffmann rules, frontier orbitals, and organic reactions Develops MO theory of periodic systems, with applications to organic polymers.

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Author: J. E. House
Publisher: Academic Press
ISBN: 9780123567710
Size: 67.52 MB
Format: PDF, Mobi
Category : Science
Languages : en
Pages : 291
View: 6098

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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).

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