Download Full eBooks in PDF
Annual Reports In Computational Chemistry 2 Book in PDF, ePub and Kindle version is available to download in english. Read online anytime anywhere directly from your device. Click on the download button below to get a free pdf file of Annual Reports In Computational Chemistry 2 book. This book definitely worth reading, it is an incredibly well-written.
Author : [Anonymus AC06579881]
Publisher : Elsevier
Page : 347 pages
File Size : 45,6 Mb
Release : 2005
Category : Electronic
ISBN : 9780444528797
Author : David A. Dixon
Publisher : Elsevier
Page : 134 pages
File Size : 52,7 Mb
Release : 2018-10-04
Category : Science
ISBN : 9780444641458
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
Page : 176 pages
File Size : 43,6 Mb
Release : 2023-11-29
Category : Science
ISBN : 9780443193637
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 : [Anonymus AC07534909]
Publisher : Unknown
Page : 0 pages
File Size : 42,7 Mb
Release : 2007
Category : Electronic
ISBN : 0444530894
Author : David C. Spellmeyer
Publisher : Elsevier
Page : 346 pages
File Size : 46,5 Mb
Release : 2006-11-06
Category : Science
ISBN : 0080465420
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 : David A. Dixon
Publisher : Elsevier
Page : 286 pages
File Size : 50,9 Mb
Release : 2021-11-11
Category : Science
ISBN : 9780323850704
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 : Ralph A. Wheeler
Publisher : Newnes
Page : 125 pages
File Size : 41,5 Mb
Release : 2013-09-28
Category : Science
ISBN : 9780444626684
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 : Anonim
Publisher : Elsevier
Page : 436 pages
File Size : 44,8 Mb
Release : 2015-11-29
Category : Science
ISBN : 9780444636829
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 : Unknown
Page : 312 pages
File Size : 49,6 Mb
Release : 2015-12-15
Category : Science
ISBN : 0444636811
Author : David A. Dixon
Publisher : Elsevier
Page : 200 pages
File Size : 45,9 Mb
Release : 2020-09-24
Category : Science
ISBN : 9780128206959
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 : Anonim
Publisher : Elsevier
Page : 216 pages
File Size : 48,5 Mb
Release : 2022-11-05
Category : Science
ISBN : 9780323990936
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
Page : 293 pages
File Size : 42,7 Mb
Release : 2024-08-06
Category : Science
ISBN : 9781040099810
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
Page : 675 pages
File Size : 42,5 Mb
Release : 2010-11-09
Category : Science
ISBN : 9789048138623
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 : Alan Gilchrist
Publisher : Facet Publishing
Page : 433 pages
File Size : 43,6 Mb
Release : 2009
Category : Language Arts & Disciplines
ISBN : 9781856046930
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
Page : 448 pages
File Size : 48,8 Mb
Release : 2009-08-11
Category : Science
ISBN : 0123814332
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