Novel Approaches To The Structure And Dynamics Of Liquids Experiments Theories And Simulations
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Novel Approaches To The Structure And Dynamics Of Liquids Experiments Theories And Simulations
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Author : Jannis Samios
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-11
Novel Approaches To The Structure And Dynamics Of Liquids Experiments Theories And Simulations written by Jannis Samios and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-11-11 with Science categories.
The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to be essentially a solved problem. It should be emphasized, however, that although, for more than a century, the overall scientific effort has led to a considerable progress, our understanding of the properties of the liquid systems is still incomplete and there is still more to be explored. Basic reason for this is the "many body" character of the particle interactions in liquids and the lack of long-range order, which introduce in liquid state theory and existing simulation techniques a number of conceptual and technical problems that require specific approaches. Also, many of the elementary processes that take place in liquids, including molecular translational, rotational and vibrational motions (Trans. -Rot. -Vib. coupling), structural relaxation, energy dissipation and especially chemical changes in reactive systems occur at different and/or extremely short timescales.
Novel Approaches To The Structure And Dynamics Of Liquids
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Author : Jannis Samios
language : en
Publisher:
Release Date : 2014-01-15
Novel Approaches To The Structure And Dynamics Of Liquids written by Jannis Samios and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-15 with categories.
Novel Approaches To The Structure And Dynamics Of Liquids Experiments Theories And Simulations
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Author : Vladimir A. Durov
language : en
Publisher: Springer Science & Business Media
Release Date : 2004
Novel Approaches To The Structure And Dynamics Of Liquids Experiments Theories And Simulations written by Vladimir A. Durov and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with categories.
Novel Approaches To The Structure And Dynamics Of Liquids
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Author :
language : en
Publisher:
Release Date : 2004
Novel Approaches To The Structure And Dynamics Of Liquids written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with categories.
Density Functional Theory
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Author : Daniel Glossman-Mitnik
language : en
Publisher: BoD – Books on Demand
Release Date : 2022-05-18
Density Functional Theory written by Daniel Glossman-Mitnik and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-18 with Science categories.
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.
Advances In Computational Methods In Sciences And Engineering 2005 2 Vols
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Author : Theodore Simos
language : en
Publisher: CRC Press
Release Date : 2022-05-04
Advances In Computational Methods In Sciences And Engineering 2005 2 Vols written by Theodore Simos and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-04 with Computers categories.
This volume brings together selected contributed papers presented at the International Conference of Computational Methods in Science and Engineering (ICCMSE 2005), held in Greece, 21 aEURO" 26 October 2005. The conference aims to bring together computational scientists from several disciplines in order to share methods and ideas. The ICCMSE is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. It would be perhaps more appropriate to define the ICCMSE as a conference on computational science and its applications to science and engineering. Topics of general interest are: Computational Mathematics, Theoretical Physics and Theoretical Chemistry. Computational Engineering and Mechanics, Computational Biology and Medicine, Computational Geosciences and Meteorology, Computational Economics and Finance, Scientific Computation. High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Numerical Algorithms, Modelling and Simulation of Complex System, Web-based Simulation and Computing, Grid-based Simulation and Computing, Fuzzy Logic, Hybrid Computational Methods, Data Mining, Information Retrieval and Virtual Reality, Reliable Computing, Image Processing, Computational Science and Education etc. More than 800 extended abstracts have been submitted for consideration for presentation in ICCMSE 2005. From these 500 have been selected after international peer review by at least two independent reviewers.
Continuum Solvation Models In Chemical Physics
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Author : Benedetta Mennucci
language : en
Publisher: John Wiley & Sons
Release Date : 2008-02-28
Continuum Solvation Models In Chemical Physics written by Benedetta Mennucci and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-02-28 with Science categories.
This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation Solvation continuum models are treated using the different points of view from experts belonging to different research fields Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments Four-colour representation of the computational modeling throughout.
Russian Journal Of Physical Chemistry
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Author :
language : en
Publisher:
Release Date : 2007
Russian Journal Of Physical Chemistry written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007 with Chemistry, Physical and theoretical categories.
Applied Thermodynamics Of Fluids
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Author : A. R. H. Goodwin
language : en
Publisher: Royal Society of Chemistry
Release Date : 2010
Applied Thermodynamics Of Fluids written by A. R. H. Goodwin and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with Science categories.
Published under the auspices of both IUPAC and its affiliated body, the International Association of Chemical Thermodynamics (IACT), this book will serve as a guide to scientists or technicians who use equations of state for fluids. Concentrating on the application of theory, the practical use of each type of equation is discussed and the strengths and weaknesses of each are addressed. It includes material on the equations of state for chemically reacting and non-equilibrium fluids which have undergone significant developments and brings up to date the equations of state for fluids and fluid mixtures. Applied Thermodynamics of Fluids addresses the needs of practitioners within academia, government and industry by assembling an international team of distinguished experts to provide each chapter. The topics presented in the book are important to the energy business, particularly the hydrocarbon economy and the development of new power sources and are also significant for the application of liquid crystals and ionic liquids to commercial products. This reference will be useful for post graduate researchers in the fields of chemical engineering, mechanical engineering, chemistry and physics.
Scientific And Technical Aerospace Reports
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Author :
language : en
Publisher:
Release Date : 1995
Scientific And Technical Aerospace Reports written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Aeronautics categories.
Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.