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Computational Chemistry Methodology in Structural Biology and Materials Sciences

Author : Tanmoy Chakraborty

Publisher : CRC Press

Page : 346 pages

File Size : 15,83 MB

Release : 2017-10-03

Category : Science

ISBN : 1351800361

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Book Description

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.



Computational Chemistry Methodology in Structural Biology and Materials Sciences

Author : Tanmoy Chakraborty

Publisher : CRC Press

Page : 370 pages

File Size : 29,11 MB

Release : 2017-10-03

Category : Science

ISBN : 1771885696

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Book Description

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.



Computational Structural Biology

Author : Torsten Schwede

Publisher : World Scientific

Page : 790 pages

File Size : 23,65 MB

Release : 2008

Category : Science

ISBN : 9812778780

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Book Description

This is a comprehensive introduction to Landau-Lifshitz equations and Landau-Lifshitz-Maxwell equations, beginning with the work by Yulin Zhou and Boling Guo in the early 1980s and including most of the work done by this Chinese group led by Zhou and Guo since. The book focuses on aspects such as the existence of weak solutions in multi dimensions, existence and uniqueness of smooth solutions in one dimension, relations with harmonic map heat flows, partial regularity and long time behaviors. The book is a valuable reference book for those who are interested in partial differential equations, geometric analysis and mathematical physics. It may also be used as an advanced textbook by graduate students in these fields.



Computational Chemistry Methods in Structural Biology

Author :

Publisher : Academic Press

Page : 360 pages

File Size : 46,61 MB

Release : 2011-09-13

Category : Science

ISBN : 0123864860

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Book Description

Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. - Essential resource for protein chemists - This volume features articles on Computational Chemistry methods in Structural Biology



Computational Materials and Biological Sciences

Author : Kholmirzo Kholmurodov

Publisher : Nova Science Publishers

Page : 0 pages

File Size : 21,44 MB

Release : 2015

Category : Science

ISBN : 9781634825412

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Book Description

In this book, original papers have been collected to demonstrate the efficient use of computer molecular dynamics simulation methods for the studying of nanoscale phenomena in the materials and life sciences. This book discusses modern molecular simulation methods for the study of molecular shape and properties in protein and polymer engineering, drugs and materials design, structure-function relationships, and related issues. This book contains the Proceedings of the MSSMBS-2014 and DSCMBS-2014 International Workshops which have been organised by the Joint Institute for Nuclear Research, the Institute of Bioorganic Chemistry of the Russian Academy of Sciences and S.U. Umarov Physical-Technical Institute of the Academy of Sciences of the Republic of Tajikistan. The research topics discussed in the MSSMBS'14 & DSCMBS'14 International Workshops are as follows: computer molecular simulation methods and approaches; molecular dynamics and Monte-Carlo techniques; modelling of biological molecules; physical and biochemical systems; material fabrication and design; drug design in medicine; computational and computing physics, chemistry, biology and medicine; GPU accelerated molecular dynamics and related techniques.



Theoretical and Quantum Chemistry at the Dawn of the 21st Century

Author : Tanmoy Chakraborty

Publisher : CRC Press

Page : 635 pages

File Size : 39,82 MB

Release : 2018-06-19

Category : Science

ISBN : 1351170945

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Book Description

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.



Materials Physics and Chemistry

Author : Satya Bir Singh

Publisher : CRC Press

Page : 272 pages

File Size : 35,90 MB

Release : 2020-11-03

Category : Mathematics

ISBN : 1000727718

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Book Description

This volume focuses on the development and application of fundamental concepts in mechanics and physics of solids as they pertain to the solution of challenging new problems in diverse areas, such as materials science and micro- and nanotechnology. In this volume, emphasis is placed on the development of fundamental concepts of mechanics and novel applications of these concepts based on theoretical, experimental, or computational approaches, drawing upon the various branches of engineering science and the allied areas within applied mathematics, materials science, and applied physics. Materials Physics and Chemistry: Applied Mathematics and Chemo-Mechanical Analysis emphasizes the basics, such as design, equilibrium, material behavior, and geometry of deformation in simple structures or machines. Readers will find a thorough treatment of stress, strain, and the stress-strain relationships. Meanwhile it provides a solid foundation upon which readers can begin work in composite materials science and engineering. Many chapters include theory components with the equations students need to calculate different properties.



Chemical Nanoscience and Nanotechnology

Author : Francisco Torrens

Publisher : CRC Press

Page : 296 pages

File Size : 35,48 MB

Release : 2019-08-05

Category : Science

ISBN : 0429675569

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Book Description

This new volume presents a wealth of practical experience and research on new methodologies and important applications in chemical nanotechnology. It also includes small-scale nanotechnology-related projects that have potential applications in several disciplines of chemistry and nanotechnology. In this book, contributions range from new methods to novel applications of existing methods to gain understanding of the material and/or structural behavior of new and advanced systems. Topics cover computational methods in chemical engineering and chemoinformatics, studies of some of physico-chemical properties of several important nanoalloy clusters, the use of 3D reconstruction of nanofibrous membranes, nanotechnology research for green engineering and sustainability, nanofiltration and carbon nanotubes applications in water treatment, and much more.



Polymeric Nanocomposites with Carbonaceous Nanofillers for Aerospace Applications

Author : Ayesha Kausar

Publisher : Woodhead Publishing

Page : 369 pages

File Size : 28,50 MB

Release : 2022-10-06

Category : Technology & Engineering

ISBN : 0323996582

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Book Description

Polymeric Nanocomposites with Carbonaceous Nanofillers for Aerospace Applications offers a comprehensive paperback on the aerospace relevance of polymer/carbonaceous nanofiller-based nanocomposite. This manuscript summarizes all specific information on the design, fabrication and application areas of aerospace industry that employ polymer/carbonaceous nanofiller-based nanocomposites. In addition, it points to the potential of aeronautical nanocomposites towards lightning strike, radiation shielding, anti-corrosion, electronic/optical features, thermal management, antistatic application, self-healing aptitude, and green nanocomposites. The modeling of mechanical and essential properties of aerospace nanocomposites is also discussed, along with challenges and future forecasts of polymer/carbonaceous nanofiller nanocomposites. - Focuses on essential aerospace composites, carbonaceous nanofillers, and ensuing polymer/carbonaceous nanofiller-based nanocomposites - Explores indispensable properties of aeronautical nanocomposites, modeling of physical properties, and combined influence of carbonaceous nanofillers and carbon fibers on space material properties - Includes up-to-date technical applications of polymer/carbonaceous nanofiller-based nanocomposites in design, mechanical robustness, heat resistance, non-flammability, anti-corrosion, radiation shielding, lightning strike prevention, electronic/optical features, antistatic application, self-healing, thermal management, and green nanocomposites for aeronautical relevance



Polymer/Nanodiamond Nanocomposites

Author : Ayesha Kausar

Publisher : Elsevier

Page : 312 pages

File Size : 32,41 MB

Release : 2024-06-14

Category : Science

ISBN : 0443159092

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Book Description

Polymer/Nanodiamond Nanocomposites: Fundamentals, Properties and Applications provides an up-to-date review of these materials. The structure, design, processing, and properties, as well as technological advancements, are all thoroughly discussed. Several practical and potential application areas are also identified such as tribological aerospace/automobile materials (thermally conducting, lubricant, and radiation shielding), coatings/anti-corrosion nanomaterials, shape memory nanocomposites, energy devices (Li ion batteries and solar cells), and biomedical nanomaterials (drug delivery, tissue engineering, biosensor, imaging). Current difficulties and potential opportunities are also discussed in detail. Polymer/Nanodiamond Nanocomposites: Fundamentals, Properties and Applications covers all aspects of these new novel materials' design, structure, manufacture, and applications. The book offers an up-to-date comprehensive knowledge resource for materials scientists, researchers, and engineers. - Covers the latest advances in polymer/nanodiamond nanocomposites - Includes important fundamentals, properties, and applications - Examines nanodiamond nanobifiller derived polymeric nanocomposites - Discusses a wide range of technical applications in aerospace, automobiles, coatings, corrosion resistance, shape memory, energy devices, and biomedical fields