annual reports in computational chemistry 11

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Annual Reports In Computational Chemistry

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ISBN : 9780444636829
Genre : Science
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Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Quantum chemistry Molecular mechanics Force fields Chemical education and applications in academic and industrial settings

Annual Reports In Computational Chemistry

Author : Ralph A. Wheeler
ISBN : 9780444543028
Genre : Science
File Size : 80. 61 MB
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Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Broad coverage of computational chemistry and up-to-date information Each chapter reviews the most recent literature on a specific topic of interest to computational chemists

Annual Reports In Computational Chemistry 2

Author : [Anonymus AC07534877]
ISBN : 9780444528797
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File Size : 85. 98 MB
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Annual Reports In Computational Chemistry

Author : David C. Spellmeyer
ISBN : 0080552773
Genre : Science
File Size : 26. 70 MB
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Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a 'must' for researchers and students wishing to stay up-to-date on current developments in computational chemistry. In Volume 3, topics covered include Simulation Methodologies (Carlos Simmerling), Biological and Biophysical Applications (Heather Carlson), Chemical Education (Theresa Zielinski), Materials and Polymers (Jeffry Madura), Quantum Chemistry (T. Daniel Crawford), and Emerging Technologies (Wendy Cornell). With this volume we extend the practice of cumulative indexing of both the current and past editions in order to provide easy identification of past reports. * Broad coverage of computational chemistry and up-to-date information * Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings * Each chapter reviews the most recent literature on a specific topic of interest to computational chemists

Correspondence Invariance And Heuristics

Author : S. French
ISBN : 9789401711852
Genre : Science
File Size : 77. 90 MB
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This volume is presented in honour of Heinz Post, who founded a distinc tive and distinguished school of philosophy of science at Chelsea College, University of London. The 'Chelsea tradition' in philosophy of science takes the content of science seriously, as exemplified by the papers presented here. The unifying theme of this work is that of 'Correspondence, Invariance and Heuristics', after the title of a classic and seminal paper by Heinz Post, published in 1971, which is reproduced in this volume with the kind permission of the editors and publishers of Studies in History and Philosophy of Science. Described by Paul Feyerabend in Against Method as "brilliant" and " . . . a partial antidote against the view which I try to defend" (1975, p. 61, fn. 17), this paper, peppered with illustrative examples from the history of science, brings to the fore some of Heinz Post's central concerns: the heuristic criteria used by scientists in constructing their theories, the intertheoretic relationships which these criteria reflect and, in particular, the nature of the correspondence that holds between a theory and its predecessors (and its suc cessors). The appearance of this volume more than twenty years later is an indica tion of the fruitfulness of Post's contribution: philosophers of science continue to explore the issues raised in his 1971 paper.

Annual Reports On The Progress Of Chemistry

Author :
ISBN : PSU:000059290650
Genre : Chemistry
File Size : 24. 36 MB
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Annual Reports In Medicinal Chemistry

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ISBN : 9780123860248
Genre : Science
File Size : 63. 16 MB
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Annual Reports in Medicinal Chemistry provides timely and critical reviews of important topics in medicinal chemistry together with an emphasis on emerging topics in the biological sciences, which are expected to provide the basis for entirely new future therapies.

Annual Report

Author : Robert A. Welch Foundation
ISBN : STANFORD:36105020870460
Genre : Chemistry
File Size : 36. 26 MB
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Proceedings Of The International Symposium On Quantum Chemistry Solid State Theory And Computational Methods

Author : John R. Sabin
ISBN : 0471506923
Genre : Science
File Size : 83. 35 MB
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Annual Reports On Nmr Spectroscopy

Author : Graham A. Webb
ISBN : 9780123743374
Genre : Science
File Size : 59. 87 MB
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The great importance of NMR in many areas of scientific research is once again highlighted in this volume of Annual Reports on NMR Spectroscopy. The first chapter by J.A. Tossell (University of Maryland, USA) is on "Theoretical and Experimental Studies on 19F NMR Shieldings in Mineral Glasses, Zeolites and Related Silsequioxanes". J.T. Gerig (University of California at Santa Barbara, USA) reports on "NOE Studies of Solvent-Solute Interactions". A state-of-the-art account of "DFT Computations of Transition Metal Chemical Shifts" is given by Michael Buehl, Max Plank Institute, Muelheim an der Ruhr, Germany. This is followed by a contribution from Daniel Huster, Martin Luther University Halle-Wittemberg, Germany on "Solid-State NMR Studies of Collagen Structure and Dynamics in Isolated Fibrils and in Biological Tissues". J. Kidric, National Institute of Chemistry, Ljubljana, Slovenia reports on "NMR Studies of Beverage" and this is followed by a "Contribution of NMR Spectroscopy to Flavour Release and Perception" by L. Tavel, E. Guichard and C. Moreau, INRA, Dijon, France. The final chapter is by Jeffrey L. White (Oklahoma State University, Stillwater, USA) on "Polymer Blend Miscibility". * Provides updates on the latest developments in NMR spectroscopy * Includes comprehensive review articles * Highlights the increasing importance of NMR spectroscopy as a technique for structural determination

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