Reviews in Computational Chemistry, Volume 32

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Publisher : John Wiley & Sons
ISBN 13 : 1119625947
Total Pages : 260 pages
Book Rating : 4.1/5 (196 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 32 by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry, Volume 32 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2022-02-18 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: REVIEWS IN COMPUTATIONAL CHEMISTRY THE LATEST VOLUME IN THE REVIEWS IN COMPUTATIONAL CHEMISTRY SERIES, THE INVALUABLE REFERENCE TO METHODS AND TECHNIQUES IN COMPUTATIONAL CHEMISTRY Reviews in Computational Chemistry reference texts assist researchers in selecting and applying new computational chemistry methods to their own research. Bringing together writings from leading experts in various fields of computational chemistry, Volume 32 covers topics including global structure optimization, time-dependent density functional tight binding calculations, non-equilibrium self-assembly, cluster prediction, and molecular simulations of microphase formers and deep eutectic solvents. In keeping with previous books in the series, Volume 32 uses a non-mathematical style and tutorial-based approach that provides students and researchers with easy access to computational methods outside their area of expertise. The chapters comprising Volume 32 are connected by two themes: methods that can be broadly applied to a variety of systems, and special considerations required when modeling specific system types. Each in-depth chapter contains background and theory, strategies for using the methods correctly, mini-tutorials and best practices, and critical literature reviews highlighting advanced applications. Essential reading for both newcomers and experts in the area of molecular modeling, this state-of-the-art resource: Covers topics such as non-deterministic global optimization (NDGO) approaches and excited-state dynamics calculations Contains a detailed overview of deep eutectic solvents (DESs) and simulation methods Presents methodologies for investigating chemical systems that form microphases with periodic morphologies such as lamellae and cylinders Features step-by-step tutorials on applying techniques to probe and understand the chemical dynamics exhibited in a system Includes detailed subject indices on each volume in the series and up-to-date compendiums of molecular modeling software, services, programs, suppliers, and other useful information Reviews in Computational Chemistry, Volume 32 is a must-have guide for computational chemists, theoretical chemists, pharmaceutical chemists, biological chemists, chemical engineers, researchers in academia and industry, and graduate students involved in molecular modeling.

Reviews in Computational Chemistry, Volume 17

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Publisher : John Wiley & Sons
ISBN 13 : 0471458813
Total Pages : 431 pages
Book Rating : 4.4/5 (714 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. 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

Molecular Dynamics

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Publisher : BoD – Books on Demand
ISBN 13 : 9535104446
Total Pages : 448 pages
Book Rating : 4.5/5 (351 download)

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Book Synopsis Molecular Dynamics by : Lichang Wang

Download or read book Molecular Dynamics written by Lichang Wang and published by BoD – Books on Demand. This book was released on 2012-04-11 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This second book begins with an introduction of molecular dynamics simulations to macromolecules and then illustrates the computer experiments using molecular dynamics simulations in the studies of synthetic and biological macromolecules, plasmas, and nanomachines. Coverage of this book includes: Complex formation and dynamics of polymers Dynamics of lipid bilayers, peptides, DNA, RNA, and proteins Complex liquids and plasmas Dynamics of molecules on surfaces Nanofluidics and nanomachines

Essentials of Computational Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 1118712277
Total Pages : 624 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Essentials of Computational Chemistry by : Christopher J. Cramer

Download or read book Essentials of Computational Chemistry written by Christopher J. Cramer and published by John Wiley & Sons. This book was released on 2013-04-29 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Algorithms and Methods in Structural Bioinformatics

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Publisher : Springer Nature
ISBN 13 : 303105914X
Total Pages : 120 pages
Book Rating : 4.0/5 (31 download)

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Book Synopsis Algorithms and Methods in Structural Bioinformatics by : Nurit Haspel

Download or read book Algorithms and Methods in Structural Bioinformatics written by Nurit Haspel and published by Springer Nature. This book was released on 2022-09-01 with total page 120 pages. Available in PDF, EPUB and Kindle. Book excerpt: The three-dimensional structure and function of molecules present many challenges and opportunities for developing an understanding of biological systems. With the increasing availability of molecular structures and the advancing accuracy of structure predictions and molecular simulations, the space for algorithmic advancement on many analytical and predictive problems is both broad and deep. To support this field, a rich set of methods and algorithms are available, addressing a variety of important problems such as protein-protein interactions, the effect of mutations on protein structure and function, and protein structure determination. Despite recent advancements in the field, in particular in protein folding with the development of AlphaFold, many problems still remain unsolved. In this book we focus on a number of topics in Structural Bioinformatics: Cryo-EM structural detection, protein conformational exploration, elucidation of molecular binding surface using geometry, the effect of mutations, insertions and deletions on protein structural stability, and protein-ligand binding.

Computational Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 0471458430
Total Pages : 408 pages
Book Rating : 4.4/5 (714 download)

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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.

Biosensors Nanotechnology

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Publisher : John Wiley & Sons
ISBN 13 : 1118773810
Total Pages : 423 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Biosensors Nanotechnology by : Ashutosh Tiwari

Download or read book Biosensors Nanotechnology written by Ashutosh Tiwari and published by John Wiley & Sons. This book was released on 2014-06-26 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides detailed reviews of a range of nanostructures used in the construction of biosensors as well as the applications of these biosensor nanotechnologies in the biological, chemical, and environmental monitoring fields Biological sensing is a fundamental tool for understanding living systems, but also finds practical application in medicine, drug discovery, process control, food safety, environmental monitoring, defense, and personal security. Moreover, a deeper understanding of the bio/electronic interface leads us towards new horizons in areas such as bionics, power generation, and computing. Advances in telecommunications, expert systems, and distributed diagnostics prompt us to question the current ways we deliver healthcare, while robust industrial sensors enable new paradigms in R&D and production. Despite these advances, there is a glaring absence of suitably robust and convenient sensors for body chemistries. This book examines some of the emerging technologies that are fueling scientific discovery and underpinning new products to enhance the length and quality of our lives. The 14 chapters written by leading experts cover such topics as: ZnO and graphene microelectrode applications in biosensing Assembly of polymers/metal nanoparticles Gold nanoparticle-based electrochemical biosensors Impedimetric DNA sensing employing nanomaterials Graphene and carbon nanotube-based biosensors Computational nanochemistry study of the BFPF green fluorescent protein chromophore Biosynthesis of metal nanoparticles Bioconjugated-nanoporous gold films in electrochemical biosensors The combination of molecular imprinting and nanotechnology Principles and properties of multiferroics and ceramics

Reviews in Computational Chemistry, Volume 29

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Publisher : John Wiley & Sons
ISBN 13 : 1119103932
Total Pages : 486 pages
Book Rating : 4.1/5 (191 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 29 by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry, Volume 29 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2016-04-11 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 29 include: Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials Science: Recent Progress and Emerging Applications Discovering New Materials via a priori Crystal Structure Prediction Introduction to Maximally Localized Wannier Functions Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding

Surface Science Reports

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Publisher :
ISBN 13 :
Total Pages : 512 pages
Book Rating : 4.:/5 (45 download)

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Book Synopsis Surface Science Reports by :

Download or read book Surface Science Reports written by and published by . This book was released on 1981 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Reviews in Computational Chemistry

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Publisher : Wiley-VCH Verlag GmbH
ISBN 13 : 9781560819158
Total Pages : 414 pages
Book Rating : 4.8/5 (191 download)

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Book Synopsis Reviews in Computational Chemistry by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by Wiley-VCH Verlag GmbH. This book was released on 1995 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume in computational chemistry includes aspects of: theoretical chemistry, physical chemistry, computer graphics in chemistry, molecular structure, and pharmaceutical chemistry.

Object Detection and Recognition in Digital Images

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Publisher : John Wiley & Sons
ISBN 13 : 111861836X
Total Pages : 518 pages
Book Rating : 4.1/5 (186 download)

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Book Synopsis Object Detection and Recognition in Digital Images by : Boguslaw Cyganek

Download or read book Object Detection and Recognition in Digital Images written by Boguslaw Cyganek and published by John Wiley & Sons. This book was released on 2013-05-20 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: Object detection, tracking and recognition in images are key problems in computer vision. This book provides the reader with a balanced treatment between the theory and practice of selected methods in these areas to make the book accessible to a range of researchers, engineers, developers and postgraduate students working in computer vision and related fields. Key features: Explains the main theoretical ideas behind each method (which are augmented with a rigorous mathematical derivation of the formulas), their implementation (in C++) and demonstrated working in real applications. Places an emphasis on tensor and statistical based approaches within object detection and recognition. Provides an overview of image clustering and classification methods which includes subspace and kernel based processing, mean shift and Kalman filter, neural networks, and k-means methods. Contains numerous case study examples of mainly automotive applications. Includes a companion website hosting full C++ implementation, of topics presented in the book as a software library, and an accompanying manual to the software platform.

Russian Chemical Reviews

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Publisher :
ISBN 13 :
Total Pages : 398 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Russian Chemical Reviews by :

Download or read book Russian Chemical Reviews written by and published by . This book was released on 2005 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Introduction to Computational Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 1118825950
Total Pages : 1056 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Introduction to Computational Chemistry by : Frank Jensen

Download or read book Introduction to Computational Chemistry written by Frank Jensen and published by John Wiley & Sons. This book was released on 2016-12-14 with total page 1056 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

The Basics of Theoretical and Computational Chemistry

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Publisher : Wiley-VCH
ISBN 13 : 9783527317738
Total Pages : 195 pages
Book Rating : 4.3/5 (177 download)

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Book Synopsis The Basics of Theoretical and Computational Chemistry by : Bernd Michael Rode

Download or read book The Basics of Theoretical and Computational Chemistry written by Bernd Michael Rode and published by Wiley-VCH. This book was released on 2007-03-12 with total page 195 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook does away with the classic, unimaginative approach and comes straight to the point with a bare minimum of mathematics -- emphasizing the understanding of concepts rather than presenting endless strings of formulae. It nonetheless covers all important aspects of computational chemistry, such as - vector space theory - quantum mechanics - approximation methods - theoretical models - and computational methods. Throughout the chapters, mathematics are differentiated by necessity for understanding - fundamental formulae, and all the others. All formulae are explained step by step without omission, but the non-vital ones are marked and can be skipped by those who do not relish complex mathematics. The reader will find the text a lucid and innovative introduction to theoretical and computational chemistry, with food for thought given at the end of each chapter in the shape of several questions that help develop understanding of the concepts. What the reader will not find in this book are condescending sentences such as, 'From (formula A) and (formula M) it is obvious that (formula Z).'

Annual Review

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Publisher :
ISBN 13 :
Total Pages : 242 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Annual Review by : 岡崎国立共同研究機構分子科学研究所

Download or read book Annual Review written by 岡崎国立共同研究機構分子科学研究所 and published by . This book was released on 1987 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemical Modelling

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Publisher :
ISBN 13 : 9780854042487
Total Pages : 504 pages
Book Rating : 4.0/5 (424 download)

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Book Synopsis Chemical Modelling by : Alan Hinchliffe

Download or read book Chemical Modelling written by Alan Hinchliffe and published by . This book was released on 2008 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.

Russian Journal of Physical Chemistry

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Publisher :
ISBN 13 :
Total Pages : 200 pages
Book Rating : 4.E/5 ( download)

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Book Synopsis Russian Journal of Physical Chemistry by :

Download or read book Russian Journal of Physical Chemistry written by and published by . This book was released on 2006 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: