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Download Quantum Science Methods and Structure PDF
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Publisher : Springer Science & Business Media
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ISBN 10 : 9781475716597
Pages : 595 pages
Rating : 4.4/5 (757 users)
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Download or read book Quantum Science Methods and Structure written by Jean-Louis Calais and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 595 pages. Available in PDF, EPUB and Kindle. Book excerpt: A "Festschrift" volume fulfils a more far-reaching purpose than the laudatory one. It shows how science develops as a result of the activities - scientific and organizational - of an individual person. Scientific achievement cannot be subjected to the very refined measurement techniques of science itself, but there is a continuous mutual evaluation among scientists which manifests itself through refereeing, literature citation and dedicatory volumes like the present one. Near and distant associates of Per-Olov Lowdin were enthusiastic about the idea of a tribute to him in the form of a collection of scientific papers on the occasion of his sixtieth birthday. Monographs and journals have fairly well-defined readerships. This book is directed to a wider group of scientists. It presents reviews of areas where Lowdin's work has influenced the development as well as research papers with original results. We feel that it can serve as a source on the current status of the quantum theory of matter for scientists in neighbouring fields. It might also provide stimulus for renewed scientific efforts among scientists turned administrators and will certainly be relevant for teachers and students of quantum theory.

Download Quantum Science PDF
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ISBN 10 : OCLC:251409374
Pages : 595 pages
Rating : 4.:/5 (251 users)
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Download or read book Quantum Science written by and published by . This book was released on 1976 with total page 595 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download Quantum Science Methods and Structure PDF
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ISBN 10 : 1475716605
Pages : 608 pages
Rating : 4.7/5 (166 users)
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Download or read book Quantum Science Methods and Structure written by Jean-Louis Calais and published by . This book was released on 2014-01-15 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download Quantum science PDF
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ISBN 10 : OCLC:164908421
Pages : 595 pages
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Download or read book Quantum science written by Jean-Lois Calais and published by . This book was released on 1976 with total page 595 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download Advances in Quantum Chemistry  Lowdin Volume PDF
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Publisher : Academic Press
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ISBN 10 : 9780128104002
Pages : 408 pages
Rating : 4.1/5 (281 users)
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Download or read book Advances in Quantum Chemistry Lowdin Volume written by and published by Academic Press. This book was released on 2017-02-12 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry: Lowdin Volume presents a series of articles exploring aspects of the application of quantum mechanics to atoms, molecules, and solids. Celebrates Per-Olov Lowdin, who would have been 100 in 2016 Contains papers by many who use his ideas in theoretical chemistry and physics today

Download The Symmetric Group in Quantum Chemistry PDF
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Publisher : CRC Press
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ISBN 10 : 9781351094122
Pages : 342 pages
Rating : 4.3/5 (51 users)
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Download or read book The Symmetric Group in Quantum Chemistry written by R. Pauncz and published by CRC Press. This book was released on 2018-05-04 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first book to provide comprehensive treatment of the use of the symmetric group in quantum chemical structures of atoms, molecules, and solids. It begins with the conventional Slater determinant approach and proceeds to the basics of the symmetric group and the construction of spin eigenfunctions. The heart of the book is in the chapter dealing with spin-free quantum chemistry showing the great interpretation value of this method. The last three chapters include the unitary group approach, the symmetric group approach, and the spin-coupled valence bond method. An extensive bibliography concludes the book.

Download Computational Chemistry Methods in Structural Biology PDF
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Publisher : Academic Press
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ISBN 10 : 9780123864864
Pages : 360 pages
Rating : 4.1/5 (238 users)
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Download or read book Computational Chemistry Methods in Structural Biology written by and published by Academic Press. This book was released on 2011-09-13 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. Essential resource for protein chemists This volume features articles on Computational Chemistry methods in Structural Biology

Download Neither Physics nor Chemistry PDF
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Publisher : MIT Press
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ISBN 10 : 9780262297875
Pages : 368 pages
Rating : 4.2/5 (622 users)
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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 368 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.

Download Multiconfigurational Quantum Chemistry PDF
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Publisher : John Wiley & Sons
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ISBN 10 : 9781119277873
Pages : 240 pages
Rating : 4.1/5 (192 users)
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Download or read book Multiconfigurational Quantum Chemistry written by Björn O. Roos and published by John Wiley & Sons. This book was released on 2016-08-03 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.

Download Fundamental World of Quantum Chemistry PDF
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Publisher : Springer Science & Business Media
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ISBN 10 : 140201290X
Pages : 1373 pages
Rating : 4.0/5 (129 users)
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Download or read book Fundamental World of Quantum Chemistry written by Erkki Brändas and published by Springer Science & Business Media. This book was released on 2003 with total page 1373 pages. Available in PDF, EPUB and Kindle. Book excerpt: Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances in Quantum Chemistry; and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry: Volumes I, II and III form a collection of papers dedicated to the memory of Per-Olov Löwdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science.

Download Theory and Applications of Computational Chemistry PDF
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Publisher : Elsevier
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ISBN 10 : 9780080456249
Pages : 1336 pages
Rating : 4.0/5 (84 users)
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Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists. * Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry * Is the perfect introduction to the field

Download Reviews in Computational Chemistry PDF
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Publisher : John Wiley & Sons
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ISBN 10 : 9780471458814
Pages : 432 pages
Rating : 4.4/5 (714 users)
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Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas ofmolecular science including organic, inorganic, medicinal,biological, physical, and analytical chemistry. Researchers inthese fields who do molecular modelling need to understand and staycurrent with recent developments. This volume, like those prior toit, features chapters by experts in various fields of computationalchemistry. Two chapters focus on molecular docking, one of whichrelates to drug discovery and cheminformatics and the other toproteomics. In addition, this volume contains tutorials onspin-orbit coupling and cellular automata modeling, as well as anextensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistryremains the most valuable reference to methods and techniques incomputational chemistry."—JOURNAL OF MOLECULAR GRAPHICS ANDMODELLING "One cannot generally do better than to try to find anappropriate article in the highly successful Reviews inComputational Chemistry. The basic philosophy of the editors seemsto 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 THEAMERICAN CHEMICAL SOCIETY

Download Recent Developments and Applications of Multi configuration Hartree Fock Methods PDF
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ISBN 10 : UOM:39015095276443
Pages : 168 pages
Rating : 4.3/5 (91 users)
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Download or read book Recent Developments and Applications of Multi configuration Hartree Fock Methods written by Michel Dupuis and published by . This book was released on 1981 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download Catalog of Copyright Entries  Third Series PDF
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Publisher : Copyright Office, Library of Congress
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ISBN 10 : STANFORD:36105119498553
Pages : pages
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Download or read book Catalog of Copyright Entries Third Series written by Library of Congress. Copyright Office and published by Copyright Office, Library of Congress. This book was released on 1978 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download Reviews in Computational Chemistry PDF
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Publisher : John Wiley & Sons
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ISBN 10 : 0470189061
Pages : 448 pages
Rating : 4.1/5 (89 users)
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Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2007-11-02 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: VOLUME 25 Reviews in Computational Chemistry Kenny B. Lipkowitz and Thomas R. Cundari This Volume, Like Those Prior To It, Features Pedagogically Driven Reviews By Experts In Various Fields Of Computational Chemistry. Volume 25 Contains: Eight Chapters Covering The Glass Transition In Polymer Melts, Atomistic Modeling Of Friction, The Computation Of Free Volume, Structural Order And Entropy Of Liquids And Glasses, The Reactivity Of Materials At Extreme Conditions, Magnetic Properties Of Transition Metal Clusters, Multiconfigurational Quantum Methods For The Treatment Of Heavy Metals, Recursive Solutions To Large Eigenvalue Problems, And The Development And Uses Of Artificial Intelligence In Chemistry. 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

Download Piezoelectric Materials PDF
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Publisher : BoD – Books on Demand
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ISBN 10 : 9789535125587
Pages : 238 pages
Rating : 4.5/5 (351 users)
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Download or read book Piezoelectric Materials written by Toshio Ogawa and published by BoD – Books on Demand. This book was released on 2016-08-24 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: The science and technology in the area of piezoelectric ceramics are extremely progressing, especially the materials research, measurement technique, theory and applications, and furthermore, demanded to fit social technical requests such as environmental problems. While they had been concentrated on piezoelectric ceramics composed of lead-containing compositions, such as lead zirconate titanate (PZT) and lead titanate, at the beginning because of the high piezoelectricity, recently lead water pollution by soluble PZT of our environment must be considered. Therefore, different new compositions of lead-free ceramics in order to replace PZT are needed. Until now, there have been many studies on lead-free ceramics looking for new morphotropic phase boundaries, ceramic microstructure control to realize high ceramic density, including composites and texture developments, and applications to new evaluation techniques to search for high piezoelectricity. The purpose of this book is focused on the latest reports in piezoelectric materials such as lead-free ceramics, single crystals, and thin films from viewpoints of piezoelectric materials, piezoelectric science, and piezoelectric applications.

Download Molecular Orbitals and their Energies  Studied by the Semiempirical HAM Method PDF
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Publisher : Springer Science & Business Media
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ISBN 10 : 9783642455957
Pages : 290 pages
Rating : 4.6/5 (424 users)
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Download or read book Molecular Orbitals and their Energies Studied by the Semiempirical HAM Method written by Einar Lindholm and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: This treatment of molecular and atomic physics is primarily meant as a textbook. It is intended for both chemists and physicists. ·It can be read without much knowledge of quantum mechanics or mathematics, since all such details are explained-. It has developed through a series of lectures at the Royal Institute of Technology. The content is to about 50 % theoretical and to 50 % experimental. The reason why the authors, who are experimentalists, went into theory is the following. When we during the beginning of the 1970's measured photo electron spectra of organic molecules, it appeared to be impossible to understand them by use of available theoretical calculations. To handle hydrocarbons we ( together with C. Fridh ) constructed in 1972 a purely empirical procedure, SPINDO [1] which has proved to be useful, but the extension to molecules with hetero atoms appeared to be difficult. One of us ( L.A.) proposed then another purely ~~E!E!~~! EE2~~~~E~ ( Hydrogenic Atoms in Molecules, HAM/1, unpublished), in which the Fock matrix elements f5..y were parametrized using Slater's shielding concept. The self-repulsion was compensated by a term "-1". The §~~2~~_~ff2E~, HAM/2 [2] , started from the total energy E:. of the molecule. The atomic parts of L used the Slater shielding constants, and the bond parts of E. were taken from SPINDO. The Fock matrix elements Fpv were then obtained from E in a conventional way.