Quantum Chemistry Classic Scientific Papers

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Quantum Chemistry: Classic Scientific Papers

Author : Hinne Hettema
Publisher : World Scientific
ISBN 13 : 981449853X
Total Pages : 520 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Quantum Chemistry: Classic Scientific Papers by : Hinne Hettema

Download or read book Quantum Chemistry: Classic Scientific Papers written by Hinne Hettema and published by World Scientific. This book was released on 2000-03-24 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Quantum Chemistry

Author : Hinne Hettema
Publisher : World Scientific
ISBN 13 : 9789812795762
Total Pages : 522 pages
Book Rating : 4.7/5 (957 download)

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Book Synopsis Quantum Chemistry by : Hinne Hettema

Download or read book Quantum Chemistry written by Hinne Hettema and published by World Scientific. This book was released on 2000 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Neurmann and E. Wigner, E.A. Hylleraas, F. London, F. Hund, H.A. Kramers, R. de L. Kronig and F. Huckel, among others.

Problems and Solutions in Quantum Chemistry and Physics

Author : Charles S. Johnson
Publisher : Courier Corporation
ISBN 13 : 0486151530
Total Pages : 750 pages
Book Rating : 4.4/5 (861 download)

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Book Synopsis Problems and Solutions in Quantum Chemistry and Physics by : Charles S. Johnson

Download or read book Problems and Solutions in Quantum Chemistry and Physics written by Charles S. Johnson and published by Courier Corporation. This book was released on 2013-01-18 with total page 750 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unusually varied problems, with detailed solutions, cover quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.

Introduction to Quantum Mechanics with Applications to Chemistry

Author : Linus Pauling
Publisher : Courier Corporation
ISBN 13 : 0486134938
Total Pages : 500 pages
Book Rating : 4.4/5 (861 download)

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Book Synopsis Introduction to Quantum Mechanics with Applications to Chemistry by : Linus Pauling

Download or read book Introduction to Quantum Mechanics with Applications to Chemistry written by Linus Pauling and published by Courier Corporation. This book was released on 2012-06-08 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.

Modern Quantum Chemistry

Author : Attila Szabo
Publisher : Courier Corporation
ISBN 13 : 0486134598
Total Pages : 484 pages
Book Rating : 4.4/5 (861 download)

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Book Synopsis Modern Quantum Chemistry by : Attila Szabo

Download or read book Modern Quantum Chemistry written by Attila Szabo and published by Courier Corporation. This book was released on 2012-06-08 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Quantum Chemistry

Author : Ajit Thakkar
Publisher : Morgan & Claypool Publishers
ISBN 13 : 1681746387
Total Pages : 134 pages
Book Rating : 4.6/5 (817 download)

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Book Synopsis Quantum Chemistry by : Ajit Thakkar

Download or read book Quantum Chemistry written by Ajit Thakkar and published by Morgan & Claypool Publishers. This book was released on 2017-10-03 with total page 134 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages.

Quantum Mechanics in Chemistry

Author : George C. Schatz
Publisher : Courier Corporation
ISBN 13 : 0486136728
Total Pages : 386 pages
Book Rating : 4.4/5 (861 download)

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Book Synopsis Quantum Mechanics in Chemistry by : George C. Schatz

Download or read book Quantum Mechanics in Chemistry written by George C. Schatz and published by Courier Corporation. This book was released on 2012-04-30 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.

Reviews in Computational Chemistry, Volume 17

Author : Kenny B. Lipkowitz
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

Advances in Quantum Chemistry

Author :
Publisher : Academic Press
ISBN 13 : 0080887856
Total Pages : 347 pages
Book Rating : 4.0/5 (88 download)

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Book Synopsis Advances in Quantum Chemistry by :

Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 2009-03-14 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle 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

Introduction to Quantum Mechanics

Author : S.M. Blinder
Publisher : Academic Press
ISBN 13 : 0128223111
Total Pages : 436 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Introduction to Quantum Mechanics by : S.M. Blinder

Download or read book Introduction to Quantum Mechanics written by S.M. Blinder and published by Academic Press. This book was released on 2020-10-09 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. - Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications - Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers - Presents additional problems and exercises to further support learning

Advances in Quantum Chemical Topology Beyond QTAIM

Author : Juan I. Rodriguez
Publisher : Elsevier
ISBN 13 : 0323908926
Total Pages : 570 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Advances in Quantum Chemical Topology Beyond QTAIM by : Juan I. Rodriguez

Download or read book Advances in Quantum Chemical Topology Beyond QTAIM written by Juan I. Rodriguez and published by Elsevier. This book was released on 2022-12-06 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties. - Provides a contemporary review of the extensions and application of QTAIM methods - Compiles all extensions of QTAIM in one place for easy reference - Includes a chapter with an Introduction to Quantum Chemistry - Presents complex information at a level accessible to those engaged in theoretical/computational chemistry

Linus Pauling - Selected Scientific Papers (In 2 Volumes) - Volume 2

Author : Barclay Kamb
Publisher : World Scientific
ISBN 13 : 9814498475
Total Pages : 746 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Linus Pauling - Selected Scientific Papers (In 2 Volumes) - Volume 2 by : Barclay Kamb

Download or read book Linus Pauling - Selected Scientific Papers (In 2 Volumes) - Volume 2 written by Barclay Kamb and published by World Scientific. This book was released on 2001-11-02 with total page 746 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linus Pauling wrote a stellar series of over 800 scientific papers spanning an amazing range of fields, some of which he himself initiated. This book is a selection of the most important of his writings in the fields of quantum mechanics, chemical bonding (covalent, ionic, metallic, and hydrogen bonding), molecular rotation and entropy, protein structure, hemoglobin, molecular disease, molecular evolution, the antibody mechanism, the molecular basis of anesthesia, orthomolecular medicine, radiation chemistry/biology, and nuclear structure. Through these papers the reader gets a fresh, unfiltered view of the genius of Pauling's many contributions to chemistry, chemical physics, molecular biology, and molecular medicine.

Linus Pauling - Selected Scientific Papers (In 2 Volumes) - Volume 1

Author : Barclay Kamb
Publisher : World Scientific
ISBN 13 : 9814498467
Total Pages : 864 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Linus Pauling - Selected Scientific Papers (In 2 Volumes) - Volume 1 by : Barclay Kamb

Download or read book Linus Pauling - Selected Scientific Papers (In 2 Volumes) - Volume 1 written by Barclay Kamb and published by World Scientific. This book was released on 2001-11-02 with total page 864 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linus Pauling wrote a stellar series of over 800 scientific papers spanning an amazing range of fields, some of which he himself initiated. This book is a selection of the most important of his writings in the fields of quantum mechanics, chemical bonding (covalent, ionic, metallic, and hydrogen bonding), molecular rotation and entropy, protein structure, hemoglobin, molecular disease, molecular evolution, the antibody mechanism, the molecular basis of anesthesia, orthomolecular medicine, radiation chemistry/biology, and nuclear structure. Through these papers the reader gets a fresh, unfiltered view of the genius of Pauling's many contributions to chemistry, chemical physics, molecular biology, and molecular medicine.

Neither Physics nor Chemistry

Author : Kostas Gavroglu
Publisher : MIT Press
ISBN 13 : 0262016184
Total Pages : 367 pages
Book Rating : 4.2/5 (62 download)

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Book Synopsis Neither Physics nor Chemistry by : Kostas Gavroglu

Download or read book Neither Physics nor Chemistry written by Kostas Gavroglu and published by MIT Press. This book was released on 2011-10-07 with total page 367 pages. Available in PDF, EPUB and Kindle. Book excerpt: The evolution of a discipline at the intersection of physics, chemistry, and mathematics. Quantum chemistry—a discipline that is not quite physics, not quite chemistry, and not quite applied mathematics—emerged as a field of study in the 1920s. It was referred to by such terms as mathematical chemistry, subatomic theoretical chemistry, molecular quantum mechanics, and chemical physics until the community agreed on the designation of quantum chemistry. In Neither Physics Nor Chemistry, Kostas Gavroglu and Ana Simões examine the evolution of quantum chemistry into an autonomous discipline, tracing its development from the publication of early papers in the 1920s to the dramatic changes brought about by the use of computers in the 1970s. The authors focus on the culture that emerged from the creative synthesis of the various traditions of chemistry, physics, and mathematics. They examine the concepts, practices, languages, and institutions of this new culture as well as the people who established it, from such pioneers as Walter Heitler and Fritz London, Linus Pauling, and Robert Sanderson Mulliken, to later figures including Charles Alfred Coulson, Raymond Daudel, and Per-Olov Löwdin. Throughout, the authors emphasize six themes: epistemic aspects and the dilemmas caused by multiple approaches; social issues, including academic politics, the impact of textbooks, and the forging of alliances; the contingencies that arose at every stage of the developments in quantum chemistry; the changes in the field when computers were available to perform the extraordinarily cumbersome calculations required; issues in the philosophy of science; and different styles of reasoning.

The Strange World of Quantum Mechanics

Author : Daniel F. Styer
Publisher : Cambridge University Press
ISBN 13 : 1316101878
Total Pages : 248 pages
Book Rating : 4.3/5 (161 download)

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Book Synopsis The Strange World of Quantum Mechanics by : Daniel F. Styer

Download or read book The Strange World of Quantum Mechanics written by Daniel F. Styer and published by Cambridge University Press. This book was released on 2000-02-24 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an exceptionally accessible, accurate, and non-technical introduction to quantum mechanics. After briefly summarizing the differences between classical and quantum behaviour, this engaging account considers the Stern-Gerlach experiment and its implications, treats the concepts of probability, and then discusses the Einstein-Podolsky-Rosen paradox and Bell's theorem. Quantal interference and the concept of amplitudes are introduced and the link revealed between probabilities and the interference of amplitudes. Quantal amplitude is employed to describe interference effects. Final chapters explore exciting new developments in quantum computation and cryptography, discover the unexpected behaviour of a quantal bouncing-ball, and tackle the challenge of describing a particle with no position. Thought-provoking problems and suggestions for further reading are included. Suitable for use as a course text, The Strange World of Quantum Mechanics enables students to develop a genuine understanding of the domain of the very small. It will also appeal to general readers seeking intellectual adventure.

Handbook of Biomedical Nonlinear Optical Microscopy

Author : Barry R. Masters
Publisher : Oxford University Press
ISBN 13 : 0198036825
Total Pages : 895 pages
Book Rating : 4.1/5 (98 download)

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Book Synopsis Handbook of Biomedical Nonlinear Optical Microscopy by : Barry R. Masters

Download or read book Handbook of Biomedical Nonlinear Optical Microscopy written by Barry R. Masters and published by Oxford University Press. This book was released on 2008-05-19 with total page 895 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Handbook of Biomedical Nonlinear Optical Microscopy provides comprehensive treatment of the theories, techniques, and biomedical applications of nonlinear optics and microscopy for cell biologists, life scientists, biomedical engineers, and clinicians. The chapters are separated into basic and advanced sections, and provide both textual and graphical illustrations of all key concepts. The more basic sections are aimed at life scientists without advanced training in physics and mathematics, and tutorials are provided for the more challenging sections. The first part of the Handbook introduces the historical context of nonlinear microscopy. The second part presents the nonlinear optical theory of two- and multiphoton excited fluorescence (TPE, MPE) spectroscopy, second and third harmonic generation (SHG, THG) spectroscopy, and coherent anti-Stokes Raman spectroscopy (CARS). The third part introduces modern microscopic and spectroscopic instrumentation and techniques that are based on nonlinear optics. The fourth part provides key applications of nonlinear microscopy to the biomedical area: neurobiology, immunology, tumor biology, developmental biology, dermatology, and cellular metabolism. There are also chapters on nonlinear molecular probes, cellular damage, and nanoprocessing.

New Philosophical Perspectives on Scientific Progress

Author : Yafeng Shan
Publisher : Taylor & Francis
ISBN 13 : 1000780880
Total Pages : 425 pages
Book Rating : 4.0/5 (7 download)

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Book Synopsis New Philosophical Perspectives on Scientific Progress by : Yafeng Shan

Download or read book New Philosophical Perspectives on Scientific Progress written by Yafeng Shan and published by Taylor & Francis. This book was released on 2022-11-01 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: This collection of original essays offers a comprehensive examination of scientific progress, which has been a central topic in recent debates in philosophy of science. Traditionally, debates over scientific progress have focused on different methodological approaches, notably the epistemic and semantic approaches. The chapters in Part I of the book examine these two traditional approaches, as well as the newly revived functional and newly developed noetic approaches. Part II features in-depth case studies of scientific progress from the history of science. The chapters cover individual sciences including physics, chemistry, evolutionary biology, seismology, psychology, sociology, economics, and medicine. Finally, Part III of the book explores important issues from contemporary philosophy of science. These chapters address the implications of scientific progress for the scientific realism/anti-realism debate, incommensurability, values in science, idealisation, scientific speculation, interdisciplinarity, and scientific perspectivalism. New Philosophical Perspectives on Scientific Progress will be of interest to researchers and advanced students working on the history and philosophy of science.