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Structure And Hydrogen Bond Dynamics Of Water Dimethyl Sulfoxide Mixtures By Computer Simulations
Download Structure And Hydrogen Bond Dynamics Of Water Dimethyl Sulfoxide Mixtures By Computer Simulations full books in PDF, epub, and Kindle. Read online Structure And Hydrogen Bond Dynamics Of Water Dimethyl Sulfoxide Mixtures By Computer Simulations ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Water in Biological and Chemical Processes by : Biman Bagchi
Download or read book Water in Biological and Chemical Processes written by Biman Bagchi and published by Cambridge University Press. This book was released on 2013-11-14 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
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
Download or read book Hydrodynamics written by Harry Schulz and published by BoD – Books on Demand. This book was released on 2011-12-22 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: The phenomena related to the flow of fluids are generally complex, and difficult to quantify. New approaches - considering points of view still not explored - may introduce useful tools in the study of Hydrodynamics and the related transport phenomena. The details of the flows and the properties of the fluids must be considered on a very small scale perspective. Consequently, new concepts and tools are generated to better describe the fluids and their properties. This volume presents conclusions about advanced topics of calculated and observed flows. It contains eighteen chapters, organized in five sections: 1) Mathematical Models in Fluid Mechanics, 2) Biological Applications and Biohydrodynamics, 3) Detailed Experimental Analyses of Fluids and Flows, 4) Radiation-, Electro-, Magnetohydrodynamics, and Magnetorheology, 5) Special Topics on Simulations and Experimental Data. These chapters present new points of view about methods and tools used in Hydrodynamics.
Book Synopsis Molecular Basics of Liquids and Liquid-Based Materials by : Katsura Nishiyama
Download or read book Molecular Basics of Liquids and Liquid-Based Materials written by Katsura Nishiyama and published by Springer Nature. This book was released on 2022-01-03 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of such systems are connected with their properties, dynamics, and functions. Once the use and application of liquids and liquid-based materials are understood, the book becomes a source of the latest, detailed knowledge of their structures, dynamics, and functions emerging from molecularity. The systems discussed in the book have structural dimensions varying from nanometers to millimeters, thus the precise estimation of structures and dynamics from experimental, theoretical, and simulation methods is of crucial importance. Outlines of the practical knowledge needed in research and development are helpfully included in the book.
Book Synopsis Hydrogen Bond Networks by : Marie-Claire Bellisent-Funel
Download or read book Hydrogen Bond Networks written by Marie-Claire Bellisent-Funel and published by Springer. This book was released on 2014-03-14 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: The almost universal presence of water in our everyday lives and the very `common' nature of its presence and properties possibly deflects attention from the fact that it has a number of very unusual characteristics which, furthermore, are found to be extremely sensitive to physical parameters, chemical environment and other influences. Hydrogen-bonding effects, too, are not restricted to water, so it is necessary to investigate other systems as well, in order to understand the characteristics in a wider context. Hydrogen Bond Networks reflects the diversity and relevance of water in subjects ranging from the fundamentals of condensed matter physics, through aspects of chemical reactivity to structure and function in biological systems.
Book Synopsis The Physics and Physical Chemistry of Water by : Felix Franks
Download or read book The Physics and Physical Chemistry of Water written by Felix Franks and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: to arrive at some temporary consensus model or models; and to present reliable physical data pertaining to water under a range of conditions, i.e., "Dorsey revisited," albeit on a less ambitious scale. I should like to acknowledge a debt of gratitude to several of my col leagues, to Prof. D. J. G. Ives and Prof. Robert L. Kay for valuable guidance and active encouragement, to the contributors to this volume for their willing cooperation, and to my wife and daughters for the understanding shown to a husband and father who hid in his study for many an evening. My very special thanks go to Mrs. Joyce Johnson, who did all the cor respondence and much of the arduous editorial work with her usual cheerful efficiency. F. FRANKS Biophysics Division Unilever Research Laboratory ColworthjWelwyn Colworth House, Sharnbrook, Bedford March 1972 Contents Chapter 1 Introduction-Water, the Unique Chemical F. Franks I. lntroduction ........................................ . 2. The Occurrence and Distribution of Water on the Earth 2 3. Water and Life ...................................... 4 4. The Scientific Study of Water-A Short History ........ 8 5. The Place of Water among Liquids . . . . . . . . . . . . . . . 13 . . . . . Chapter 2 The Water Moleeule C. W. Kern and M. Karplus 1. Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21 . . . . . . . . . . 2. Principles of Structure and Spectra: The Born-Oppenheimer Separation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 . . . . . . . . . . . . 3. The Electronic Motion ............................... 26 3.1. The Ground Electronic State of Water ............ 31 3.2. The Excited Electronic States of Water ........... 50 4. The Nuclear Motion ................................. 52 5. External-Field Effects ................................. 70 5.1. Perturbed Hartree-Fock Method . . . . . . . . . . . . . . . 74 . . .
Book Synopsis Modern Techniques of Spectroscopy by : Dheeraj Kumar Singh
Download or read book Modern Techniques of Spectroscopy written by Dheeraj Kumar Singh and published by Springer Nature. This book was released on 2021-04-01 with total page 663 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book highlights recent developments in the field of spectroscopy by providing the readers with an updated and high-level of overview. The focus of this book is on the introduction to concepts of modern spectroscopic techniques, recent technological innovations in this field, and current examples of applications to molecules and materials relevant for academia and industry. The book will be beneficial to researchers from various branches of science and technology, and is intended to point them to modern techniques, which might be useful for their specific problems. Spectroscopic techniques, that are discussed include, UV-Visible absorption spectroscopy, XPS, Raman spectroscopy, SERS, TERS, CARS, IR absorption spectroscopy, SFG, LIBS, Quantum cascade laser (QCL) spectroscopy, fluorescence spectroscopy, ellipsometry, cavity-enhanced absorption spectroscopy, such as cavity ring-down spectroscopy (CRDS) and evanescent wave-CRDS both in gas and condensed phases, time-resolved spectroscopy etc. Applications introduced in the different chapters demonstrates the usefulness of the spectroscopic techniques for the characterization of fundamental properties of molecules, e.g. in connection with environmental impact, bio-activity, or usefulness for pharmaceutical drugs, and materials important e.g. for nano-science, nuclear chemistry, or bio-applications. The book presents how spectroscopic techniques can help to better understand substances, which have also great impact on questions of social and economic relevance (environment, alternative energy, etc.).
Book Synopsis Machine Learning in Biomolecular Simulations by : Gennady Verkhivker
Download or read book Machine Learning in Biomolecular Simulations written by Gennady Verkhivker and published by Frontiers Media SA. This book was released on 2019-10-21 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine learning methods such as neural networks, non-linear dimensionality reduction techniques, random forests and others meet in this research topic with biomolecular simulations. The authors of eight articles applied these methods to analyze simulation results, accelerate simulations or to make molecular mechanics force fields more accurate.
Book Synopsis Journal of the Indian Institute of Science by : Indian Institute of Science, Bangalore
Download or read book Journal of the Indian Institute of Science written by Indian Institute of Science, Bangalore and published by . This book was released on 2003 with total page 178 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Drug Delivery by : Pooja A. Chawla
Download or read book Computational Drug Delivery written by Pooja A. Chawla and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-10-07 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book bridges the gap between pharmaceutics and molecular modelling at the micro, meso and macro scale. It covers Lipinski's rule of five, nanoparticulate drug delivery, computational prediction of drug solubility and ability to cross blood brain barrier, computer-based simulation of pharmacokinetic parameters, virtual screening of mucoadhesive polymers, QSPR modelling, designing of 2D nanomaterials and role of principal component analysis.
Book Synopsis Principles and Practice of Ovarian Tissue Cryopreservation and Transplantation by : Kutluk Oktay
Download or read book Principles and Practice of Ovarian Tissue Cryopreservation and Transplantation written by Kutluk Oktay and published by Elsevier. This book was released on 2022-05-20 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: Principles and Practice of Ovarian Tissue Cryopreservation and Transplantation provides methods and techniques of ovarian tissue harvesting and cryopreservation, including instructional videos. This book will benefit a wide audience, guiding infertility specialists, fellows, residents, reproductive surgeons, reproductive endocrinologists, pediatric surgeons, embryologists, infertility nurses and gynecologists. Ovarian cryopreservation and transplantation is rapidly gaining acceptance as a successful and established fertility preservation strategy in cancer patients and beyond. Unlike other fertility preservation strategies, it can be performed in children as well as adults, and can be helpful in restoring natural ovarian function and fertility, hence this is a welcomed resource on the topic. - Provides links to instructional videos, materials and an equipment list for ovarian tissue harvesting and cryopreservation, along with protocols for ovarian tissue cryopreservation thawing and transplantation - Presents instructional video coverage of ovarian tissue cryopreservation for use at fertility centers around the globe - Fulfills a specific niche in the literature, providing a comprehensive reference on ovarian tissue freezing and transplantation - Includes a foreword written by a cancer survivor who successfully received this procedure
Book Synopsis Analytical Methods in Supramolecular Chemistry by : Christoph A. Schalley
Download or read book Analytical Methods in Supramolecular Chemistry written by Christoph A. Schalley and published by John Wiley & Sons. This book was released on 2012-09-25 with total page 849 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of "Analytical Methods in Supramolecular Chemistry" comes in two volumes and covers a broad range of modern methods and techniques now used for investigating supramolecular systems, e. g. NMR spectroscopy, mass spectrometry, extraction methods, crystallography, single molecule spectroscopy, electrochemisty, and many more. In this second edition, tutorial inserts have been introduced, making the book also suitable as supplementary reading for courses on supramolecular chemistry. All chapters have been revised and updated and four new chapters have been added. A must-have handbook for Organic and Analytical Chemists, Spectroscopists, Materials Scientists, and Ph.D. Students in Chemistry. From reviews of the first edition: "This timely book should have its place in laboratories dealing with supramolecular objects. It will be a source of reference for graduate students and more experienced researchers and could induce new ideas on the use of techniques other than those usually used in the laboratory." Journal of the American Chemical Society (2008) VOL. 130, NO. 1 doi: 10.1021/ja0769649 "The book as a whole or single chapters will stimulate the reader to widen his horizon in chemistry and will help him to have new ideas in his research." Anal Bioanal Chem (2007) 389:2039-2040 DOI: 10.1007/s00216-007-1677-1
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
Book Synopsis Soft Matter Systems for Biomedical Applications by : Leonid Bulavin
Download or read book Soft Matter Systems for Biomedical Applications written by Leonid Bulavin and published by Springer Nature. This book was released on 2021-09-27 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses new challenges in soft matter and colloids. It presents timely reports on colloidal self-assembly, soft matters from liquid crystals, nanoparticles in liquid crystals, hydrocolloids, hybrid nanosystems, nanosuspensions, and dispersion of nanoparticles in different media, soft matter processing and modern experiments related with soft matters.
Book Synopsis Aggregate Structure and Kinetics of Fibrillogenesis of Alzheimer's L-amyloid Peptide by : Chih-Lung Shen
Download or read book Aggregate Structure and Kinetics of Fibrillogenesis of Alzheimer's L-amyloid Peptide written by Chih-Lung Shen and published by . This book was released on 1995 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Theory of Solutions by : John G. Kirkwood
Download or read book Theory of Solutions written by John G. Kirkwood and published by CRC Press. This book was released on 2001-12 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Ab Initio Molecular Dynamics by : Dominik Marx
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
