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Theoretical Studies Of Solid And Liquid Water Systems
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Book Synopsis Theoretical Studies of Solid and Liquid Water Systems by : Corey Andreu Beck
Download or read book Theoretical Studies of Solid and Liquid Water Systems written by Corey Andreu Beck and published by . This book was released on 2012 with total page 115 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: Theoretical studies were conducted on various liquid and solid water systems. Ab initio molecular dynamic simulations were performed on cubic ice to determine the effects vibrations have on ice lattices. The results of this study give insight into the discrepancies seen between electronic DFT and experiments. An ab initio molecular dynamics study was performed on three ice phases to determine the validity of using the BLYP functional in water systems. Results from this study indicate there is an over-structuring of water molecules when the BLYP functional is used. Classical molecular dynamics simulations were performed on two different water systems containing a short-chained DNA strand surrounded by water molecules. The results of these studies demonstrate some of the static and dynamic properties water molecules have near DNA.
Book Synopsis Theoretical Studies of Liquid Water by : Arthur R. Henn
Download or read book Theoretical Studies of Liquid Water written by Arthur R. Henn and published by . This book was released on 1982 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Theoretical Studies on Liquid Water by : Jacob Urquidi
Download or read book Theoretical Studies on Liquid Water written by Jacob Urquidi and published by . This book was released on 2001 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Theory Of Water And Aqueous Solutions - Part 1: Understanding Water by : Arieh Ben-naim
Download or read book Molecular Theory Of Water And Aqueous Solutions - Part 1: Understanding Water written by Arieh Ben-naim and published by World Scientific. This book was released on 2009-07-17 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to explain the unusual properties of both pure liquid water and simple aqueous solutions, in terms of the properties of single molecules and interactions among small numbers of water molecules. It is mostly the result of the author's own research spanning over 40 years in the field of aqueous solutions. An understanding of the properties of liquid water is a prelude to the understanding of the role of water in biological systems and for the evolvement of life.The book is targeted at anyone who is interested in the outstanding properties of water and its role in biological systems. It is addressed to both students and researchers in chemistry, physics and biology.
Book Synopsis Water in Confining Geometries by : V. Buch
Download or read book Water in Confining Geometries written by V. Buch and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by leading experts in the field, this book gives a wide-ranging and coherent treatment of water in confining geometries. It compiles and relates interdisciplinary work on this hot topic of research important in many areas of science and technology.
Book Synopsis Theoretical Studies of Aqueous Systems Above 25 C. by : Derek Lewis
Download or read book Theoretical Studies of Aqueous Systems Above 25 C. written by Derek Lewis and published by . This book was released on 1971 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Studies of Liquid/solid Interfaces and of Bulk Liquids Using Second Harmonic Generation and THz Spectroscopy by : Shuo-Che Yang
Download or read book Studies of Liquid/solid Interfaces and of Bulk Liquids Using Second Harmonic Generation and THz Spectroscopy written by Shuo-Che Yang and published by . This book was released on 2000 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 . . .
Download or read book Research Awards Index written by and published by . This book was released on 1978 with total page 1520 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Theoretical Studies of Aqueous Systems Above 259C by : Derek Lewis
Download or read book Theoretical Studies of Aqueous Systems Above 259C written by Derek Lewis and published by . This book was released on 1971 with total page 23 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis New Approaches to Problems in Liquid State Theory by : Carlo Caccamo
Download or read book New Approaches to Problems in Liquid State Theory written by Carlo Caccamo and published by Springer Science & Business Media. This book was released on 1999-03-31 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of simple and complex fluids has made considerable recent progress, due to the emergence of new concepts and theoretical tools, and also to the availability of a large body of new experimental data on increas ingly complex systems, as well as far-reaching methodological developments in numerical simulations. This AS! aimed at providing a comprehensive overview of the most significant theoretical developments, supplemented by a few presentations of cutting-edge simulation and experimental work. The impact of the Institute in the overall landscape of Statistical Mechanics received an important recognition with its inclusion in the list of satellite events of STATPHYS20, the triennal international conference on Statistical Physics held in Paris in July 1998. These Proceedings contain the texts of the 13 Lecture Courses and 9 Invited Seminars delivered at Patti. Two clear trends emerge from these Proceedings: first, the diversity of new and unexpected theoretical results relating to classic models of liq uids, which have recently been subjected to fresh scrutiny; and secondly the parallel emergence of new concepts, models and methods, aimed at investigating complex fluids and phenomena, like the phase behaviour of fluids in pores, macromolecular assemblies, and the glass transition. Many of the new tools have their roots in traditional liquid state theory, and, in conjunction with fresh input from related fields, allow it wider applicability.
Download or read book Proceedings written by and published by . This book was released on 1976 with total page 1004 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Rapporteurs' summaries": p. [xxxi]-cxxxii.
Book Synopsis Summaries of Projects Completed by : National Science Foundation (U.S.)
Download or read book Summaries of Projects Completed written by National Science Foundation (U.S.) and published by . This book was released on with total page 728 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Water Resources Research Catalog by :
Download or read book Water Resources Research Catalog written by and published by . This book was released on 1966 with total page 1464 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Energy Landscapes of Nanoscale Systems by : David J. Wales
Download or read book Energy Landscapes of Nanoscale Systems written by David J. Wales and published by Elsevier. This book was released on 2022-06-08 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Energy Landscapes of Nanoscale Systems provides a snapshot of the state-of-the-art in energy landscapes theory and applications. The book's chapters reflect diversity and knowledge transfer that is a key strength of the energy landscape approach. To reflect the breadth of this field, contributions include applications for clusters, biomolecules, crystal structure prediction and glassy materials. Chapters highlighting new methodologies, especially enhanced sampling techniques are included. In particular, the development and application of global optimization for structure prediction, methods for treating broken ergodicity on multifunnel landscapes, and treatment of rare event dynamics that reflect the state-of-the-art are featured. This book is an important reference source for materials scientists and energy engineers who want to understand more about how nanotechnology applies to the energy landscape approach. This volume is dedicated to Prof. Roy L. Johnston, who was formerly Co-Editor of the Frontiers of Nanoscience series, and who passed away in 2019. - Outlines applications and advances in theory and simulation of energy systems at the nanoscale - Explores how the energy landscapes approach is being applied to nanoscale materials - Assesses major challenges in applying nanomaterials for energy applications on an industrial scale
Book Synopsis Theoretical Studies of Water on Substrates by : Sergio M. Terrazas
Download or read book Theoretical Studies of Water on Substrates written by Sergio M. Terrazas and published by . This book was released on 1983 with total page 77 pages. Available in PDF, EPUB and Kindle. Book excerpt:
