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Annual Reports In Computational Chemistry
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Book Synopsis Annual Reports in Computational Chemistry by :
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 438 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
Book Synopsis Annual Reports in Computational Chemistry by : Ralph A. Wheeler
Download or read book Annual Reports in Computational Chemistry written by Ralph A. Wheeler and published by Elsevier. This book was released on 2014-12-03 with total page 237 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
Book Synopsis Annual Reports in Computational Chemistry by : Ralph A. Wheeler
Download or read book Annual Reports in Computational Chemistry written by Ralph A. Wheeler and published by Elsevier. This book was released on 2009-09-03 with total page 211 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 * Topics covered include bioinformatics, drug discovery, protein NMR, simulation methodologies, and applications in academic and industrial settings * Each chapter reviews the most recent literature on a specific topic of interest to computational chemists
Book Synopsis Platform Technologies in Drug Discovery and Validation by :
Download or read book Platform Technologies in Drug Discovery and Validation written by and published by Academic Press. This book was released on 2017-11-21 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Platform Technologies in Drug Discovery and Validation, Volume 50, the latest release in the Annual Reports in Medicinal Chemistry series, provides timely and critical reviews of important topics in medicinal chemistry, with an emphasis on emerging topics in the biological sciences. Topics covered in this new volume include DELT, Oligos: ASO, siRNA, CRISPR, Micro-fluidic chemistry, High throughput screening, Kinase-centric computational drug development, Virtual Screening, Phenotypic screening, PROTACS, Chemical Biology, Fragment-based lead generation, Antibody-Drug Conjugates, Antibody-recruiting small molecules, Deuteration, and Peptides. - Unique for its treatment of platform technologies for medicinal chemistry and target validation - Provides a single, rich volume that summaries a broad spectrum of expertise relevant to the field - Presents state-of-the-art summaries of platform technologies
Book Synopsis The Design of Covalent-Based Inhibitors by : Richard A Ward
Download or read book The Design of Covalent-Based Inhibitors written by Richard A Ward and published by Elsevier. This book was released on 2021-07-09 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Report on Medicinal Chemistry series, highlights new advances in the field with this new volume presenting interesting chapters. Each chapter is 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 on Medicinal Chemistry series Updated release includes the latest information on The Design of Covalent-Based Inhibitors
Book Synopsis Annual Reports on Computational Chemistry by : David A. Dixon
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
Book Synopsis Computational Biochemistry and Biophysics by : Oren M. Becker
Download or read book Computational Biochemistry and Biophysics written by Oren M. Becker and published by CRC Press. This book was released on 2001-02-09 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering theoretical methods and computational techniques in biomolecular research, this book focuses on approaches for the treatment of macromolecules, including proteins, nucleic acids, and bilayer membranes. It uses concepts in free energy calculations, conformational analysis, reaction rates, and transition pathways to calculate and interpret b
Book Synopsis Annual Reports in Computational Chemistry by : David Spellmeyer
Download or read book Annual Reports in Computational Chemistry written by David Spellmeyer and published by Elsevier. This book was released on 2005-04-12 with total page 273 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
Book Synopsis Annual reports in computational chemistry. 2 by : [Anonymus AC06579881]
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:
Book Synopsis Computational Thermochemistry by : Karl K. Irikura
Download or read book Computational Thermochemistry written by Karl K. Irikura and published by . This book was released on 1998 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprises 20 contributions which grew from the August 1996 symposium. Representative paper topics include estimating phase- change enthalpies and entropies, electrostatic-covalent model parameters for molecular modeling, complete basis-set thermochemistry and kinetics, modeling free energies of solvation and transfer, use of density functional methods to compute heats of reaction, and a density functional study of periodic trends in bond energies. Together the contributions describe all the major methods used for estimating or predicting molecular thermochemistry. Appends information on software and databases for thermochemistry, essential statistical thermodynamics, and worked examples. Annotation copyrighted by Book News, Inc., Portland, OR
Book Synopsis Artificial Intelligence in Drug Discovery by : Nathan Brown
Download or read book Artificial Intelligence in Drug Discovery written by Nathan Brown and published by Royal Society of Chemistry. This book was released on 2020-11-04 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.
Book Synopsis Computational Chemistry by : David Young
Download or read book Computational Chemistry written by David Young and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics incomputational chemistry. Focuses on when and how to apply different computationaltechniques. Addresses computational chemistry connections to biochemicalsystems and polymers. Provides a prioritized list of methods for attacking difficultcomputational chemistry problems, and compares advantages anddisadvantages of various approximation techniques. Describes how the choice of methods of software affectsrequirements for computer memory and processing time.
Book Synopsis Quantum Chemistry and Dynamics of Excited States by : Leticia González
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Book Synopsis Reducing Environmental Cancer Risk by : Suzanne H. Reuben
Download or read book Reducing Environmental Cancer Risk written by Suzanne H. Reuben and published by DIANE Publishing. This book was released on 2010-10 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Though overall cancer incidence and mortality have continued to decline in recent years, cancer continues to devastate the lives of far too many Americans. In 2009 alone, 1.5 million American men, women, and children were diagnosed with cancer, and 562,000 died from the disease. There is a growing body of evidence linking environmental exposures to cancer. The Pres. Cancer Panel dedicated its 2008¿2009 activities to examining the impact of environmental factors on cancer risk. The Panel considered industrial, occupational, and agricultural exposures as well as exposures related to medical practice, military activities, modern lifestyles, and natural sources. This report presents the Panel¿s recommend. to mitigate or eliminate these barriers. Illus.
Book Synopsis Molecular Thermodynamics by : Donald A. McQuarrie
Download or read book Molecular Thermodynamics written by Donald A. McQuarrie and published by Sterling Publishing Company. This book was released on 1999-02-24 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers the principles of quantum mechanics and engages those principles in the development of thermodynamics. Coverage includes the properties of gases, the First Law of Thermodynamics, a molecular interpretation of the principal thermodynamic state functions, solutions, non equilibrium thermodynamics, and electrochemistry. Features 10-12 worked examples and some 60 problems for each chapter. A separate Solutions Manual is forthcoming in April 1999. Annotation copyrighted by Book News, Inc., Portland, OR
Book Synopsis Handbook of Pyrrolidone and Caprolactam Based Materials, 6 Volume Set by : Osama M. Musa
Download or read book Handbook of Pyrrolidone and Caprolactam Based Materials, 6 Volume Set written by Osama M. Musa and published by John Wiley & Sons. This book was released on 2021-07-06 with total page 2665 pages. Available in PDF, EPUB and Kindle. Book excerpt: HANDBOOK OF PYRROLIDONE AND CAPROLACTAM BASED MATERIALS Brings together, for the first time, a comprehensive review of all aspects of pyrrolidone- and caprolactam-based materials This comprehensive, six-volume set describes the broad technical universe of γ- and ε- lactams, reviewing in-depth the chemistry of the small lactam-based molecules, uncovering their unique properties and showing how they have enabled a myriad of commercially important applications. From synthesis, through production and into applications, this extensive work targets significant and recent trends in γ- and ε-lactam science and technology and addresses all key aspects of pyrrolidone- and caprolactam-based materials to produce a definitive overview of the field. Handbook of Pyrrolidone and Caprolactam Based Materials provides a detailed and modern portrait of the impact of pyrrolidone- and caprolactam-based materials on the world, as well as potential future possibilities. Volume One presents the chemistry of small lactam-based molecules and uncovers their unique properties. Volume Two covers polymeric materials, including polyvinyl pyrrolidone and polyvinyl caprolactam, and reviews homopolymerization, copolymerization, controlled radical polymermization and acrylate based pyrrolidone polymerizations. Volume Three examines the physical chemistry and molecular interactions of pyrrolidone and caprolactam based materials. Volume Four expands upon the characterization theme from the third volume, and includes detailed discussions of nuclear magnetic resonance (NMR) and Fourier transform-infrared (FT-IR) spectroscopy, thermal and mechanical properties, and imaging techniques. Volume Five explores pharmaceutical applications in both ingredients and materials, as well as the antimicrobial properties and applications of pyrrolidone and caprolactam-based materials, and their toxicology. Volume Six covers personal and home care, skin care, transdermal applications and wound care, oral care, adhesion related applications and digital applications such as inkjet technology. Handbook of Pyrrolidone and Caprolactam Based Materials will appeal to industrial scientists and engineers interested in polymer development and manufacturing. It will also benefit academic researchers working in the fields of chemistry, materials science, and chemical and process engineering.
Author :International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division Publisher :Royal Society of Chemistry ISBN 13 :0854044337 Total Pages :240 pages Book Rating :4.8/5 (54 download)
Book Synopsis Quantities, Units and Symbols in Physical Chemistry by : International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division
Download or read book Quantities, Units and Symbols in Physical Chemistry written by International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division and published by Royal Society of Chemistry. This book was released on 2007 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Prepared by the IUPAC Physical Chemistry Division this definitive manual, now in its third edition, is designed to improve the exchange of scientific information among the readers in different disciplines and across different nations. This book has been systematically brought up to date and new sections added to reflect the increasing volume of scientific literature and terminology and expressions being used. The Third Edition reflects the experience of the contributors with the previous editions and the comments and feedback have been integrated into this essential resource. This edition has been compiled in machine-readable form and will be available online.
