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Author : [Anonymus AC06579881]
Publisher : Elsevier
ISBN 13 : 0444528792
Total Pages : 347 pages
Book Rating : 4.4/5 (445 download)
Download or read book Annual reports in computational chemistry. 2 written by [Anonymus AC06579881] and published by Elsevier. This book was released on 2005 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : David A. Dixon
Publisher : Elsevier
ISBN 13 : 0444641459
Total Pages : 134 pages
Book Rating : 4.4/5 (446 download)
Download or read book Annual Reports in Computational Chemistry written by David A. Dixon and published by Elsevier. This book was released on 2018-10-04 with total page 134 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports in Computational Chemistry, Volume 14, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series 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. Includes timely discussions on quantum chemistry and molecular mechanics Covers force fields, chemical education, and more Presents the latest in chemical education and applications in both academic and industrial settings
Author : David A. Dixon
Publisher : Elsevier
ISBN 13 : 0443193630
Total Pages : 176 pages
Book Rating : 4.4/5 (431 download)
Download or read book Annual Reports on Computational Chemistry written by David A. Dixon and published by Elsevier. This book was released on 2023-11-29 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Report in Computational Chemistry, Volume 19, the latest release in this highly regarded series, highlights new advances in the field with this new volume presenting interesting chapters written by an international board of authors. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Annual Report in Computational Chemistry series
Author : David A. Dixon
Publisher : Elsevier
ISBN 13 : 0323850707
Total Pages : 286 pages
Book Rating : 4.3/5 (238 download)
Download or read book Annual Reports in Computational Chemistry written by David A. Dixon and published by Elsevier. This book was released on 2021-11-11 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports in Computational Chemistry, Volume 17 provides timely and critical reviews on important topics in computational chemistry. Topics covered in the series 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. Includes timely discussions on quantum chemistry and molecular mechanics Covers force fields, chemical education, and more Presents the latest in chemical education and applications in both academic and industrial settings
Author : [Anonymus AC07534909]
Publisher :
ISBN 13 : 9780444530899
Total Pages : 0 pages
Book Rating : 4.5/5 (38 download)
Download or read book Annual reports in computational chemistry. 3 written by [Anonymus AC07534909] and published by . This book was released on 2007 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : David C. Spellmeyer
Publisher : Elsevier
ISBN 13 : 9780080465425
Total Pages : 346 pages
Book Rating : 4.4/5 (654 download)
Download or read book Annual Reports in Computational Chemistry written by David C. Spellmeyer and published by Elsevier. This book was released on 2006-11-06 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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. * Broad coverage of computational chemistry and up-to-date information * The 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
Author : Ralph A. Wheeler
Publisher : Newnes
ISBN 13 : 0444626689
Total Pages : 125 pages
Book Rating : 4.4/5 (446 download)
Download or read book Annual Reports in Computational Chemistry written by Ralph A. Wheeler and published by Newnes. This book was released on 2013-09-28 with total page 125 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author :
Publisher : Elsevier
ISBN 13 : 044463682X
Total Pages : 436 pages
Book Rating : 4.4/5 (446 download)
Download or read book Annual Reports in Computational Chemistry written by and published by Elsevier. This book was released on 2015-11-29 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author : David A. Dixon
Publisher : Elsevier
ISBN 13 : 0128206950
Total Pages : 200 pages
Book Rating : 4.1/5 (282 download)
Download or read book Annual Reports on Computational Chemistry written by David A. Dixon and published by Elsevier. This book was released on 2020-09-24 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports in Computational Chemistry, Volume 16, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series 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. Includes timely discussions on quantum chemistry and molecular mechanics Covers force fields, chemical education, and more Presents the latest in chemical education and applications in both academic and industrial settings
Author : David A. Dixon
Publisher :
ISBN 13 : 9780444636812
Total Pages : 312 pages
Book Rating : 4.6/5 (368 download)
Download or read book Annual Reports in Computational Chemistry written by David A. Dixon and published by . This book was released on 2015-12-15 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : Elsevier
ISBN 13 : 0323990932
Total Pages : 216 pages
Book Rating : 4.3/5 (239 download)
Download or read book Annual Reports on Computational Chemistry written by and published by Elsevier. This book was released on 2022-11-05 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports in Computational Chemistry, Volume 18 in this important serial, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Atomistic modelling of surface plasmon resonances, Recent Advances in Solvation Modelling Applications: Chemical Properties, Reaction Mechanisms and Catalysis, Entropy considerations in catalysis, High level computational chemistry methods, and Computational Organofluorine chemistry. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Annual Report on Computational Chemistry series Covers topics ranging from atomistic modeling of surface plasmon resonances to computational organofluorine chemistry
Author : Ambrish Kumar Srivastava
Publisher : CRC Press
ISBN 13 : 1040099815
Total Pages : 293 pages
Book Rating : 4.0/5 (4 download)
Download or read book Computational Studies written by Ambrish Kumar Srivastava and published by CRC Press. This book was released on 2024-08-06 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features: Includes first principle methods, density functional theory, as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses superatomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials, as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.
Author : Errol G. Lewars
Publisher : Springer Science & Business Media
ISBN 13 : 9048138620
Total Pages : 664 pages
Book Rating : 4.0/5 (481 download)
Download or read book Computational Chemistry written by Errol G. Lewars and published by Springer Science & Business Media. This book was released on 2010-11-09 with total page 664 pages. Available in PDF, EPUB and Kindle. Book excerpt: This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. "Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Author : Fred Manby
Publisher : CRC Press
ISBN 13 : 1439808376
Total Pages : 214 pages
Book Rating : 4.4/5 (398 download)
Download or read book Accurate Condensed-Phase Quantum Chemistry written by Fred Manby and published by CRC Press. This book was released on 2010-08-02 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which allow one to approach very high accuracy, provided t
Author : Alan Gilchrist
Publisher : Facet Publishing
ISBN 13 : 1856046931
Total Pages : 433 pages
Book Rating : 4.8/5 (56 download)
Download or read book Information Science in Transition written by Alan Gilchrist and published by Facet Publishing. This book was released on 2009 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: Are we at a turning point in digital information? The expansion of the internet was unprecedented; search engines dealt with it in the only way possible - scan as much as they could and throw it all into an inverted index. But now search engines are beginning to experiment with deep web searching and attention to taxonomies, and the Semantic Web is demonstrating how much more can be done with a computer if you give it knowledge. What does this mean for the skills and focus of the information science (or sciences) community? Should information designers and information managers work more closely to create computer based information systems for more effective retrieval? Will information science become part of computer science and does the rise of the term informatics demonstrate the convergence of information science and information technology - a convergence that must surely develop in the years to come? Issues and questions such as these are reflected in this monograph, a collection of essays written by some of the most pre-eminent contributors to the discipline. These peer reviewed perspectives capture insights into advances in, and facets of, information science, a profession in transition. With an introduction from Jack Meadows the key papers are: Meeting the challenge, by Brian Vickery The developing foundations of information science, by David Bawden The last 50 years of knowledge organization, by Stella G Dextre Clarke On the history of evaluation in IR, by Stephen Robertson The information user, by Tom Wilson The sociological turn in information science, by Blaise Cronin From chemical documentation to chemoinformatics, by Peter Willett Health informatics, by Peter A Bath Social informatics and sociotechnical research, by Elisabeth Davenport The evolution of visual information retrieval, by Peter Enser Information policies, by Elizabeth Orna Disparity in professional qualifications and progress in information handling, by Barry Mahon Electronic scholarly publishing and open access, by Charles Oppenheim Social software: fun and games, or business tools?, by Wendy A Warr Bibliometrics to webometrics, by Mike Thelwall. This monograph previously appeared as a special issue of the Journal of Information Science, published by Sage. Readership: Reproduced here as a monograph, this important collection of perspectives on a skill in transition from a prestigious line-up of authors will now be available to information studies students worldwide and to all those working in the information science field.
Author : Graham A. Webb
Publisher : Academic Press
ISBN 13 : 9780123814333
Total Pages : 448 pages
Book Rating : 4.8/5 (143 download)
Download or read book Annual Reports on NMR Spectroscopy written by Graham A. Webb and published by Academic Press. This book was released on 2009-08-11 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear magnetic resonance (NMR) is an analytical tool used by chemists and physicists to study the structure and dynamics of molecules. In recent years, no other technique has gained such significance as NMR spectroscopy. It is used in all branches of science in which precise structural determination is required and in which the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a premier means for the specialist and non-specialist alike to become familiar with new techniques and applications of NMR spectroscopy. * 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
Author : Tanmoy Chakraborty
Publisher : CRC Press
ISBN 13 : 1351170945
Total Pages : 635 pages
Book Rating : 4.3/5 (511 download)
Download or read book Theoretical and Quantum Chemistry at the Dawn of the 21st Century written by Tanmoy Chakraborty and published by CRC Press. This book was released on 2018-06-19 with total page 635 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.
