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Author : R. Michael Townsend
Publisher :
ISBN 13 :
Total Pages : 312 pages
Book Rating : 4.:/5 (252 download)
Download or read book Theoretical Studies of Condensed Phases of Water written by R. Michael Townsend and published by . This book was released on 1991 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Glen Clead Nielson
Publisher :
ISBN 13 :
Total Pages : 102 pages
Book Rating : 4.:/5 (287 download)
Download or read book Theory of the Lattice Dynamics in Condensed Phases of Water written by Glen Clead Nielson and published by . This book was released on 1984 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : S.D. Schwartz
Publisher : Springer Science & Business Media
ISBN 13 : 9781402004100
Total Pages : 324 pages
Book Rating : 4.0/5 (41 download)
Download or read book Theoretical Methods in Condensed Phase Chemistry written by S.D. Schwartz and published by Springer Science & Business Media. This book was released on 2002-05-31 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping.
Author : V. Buch
Publisher : Springer Science & Business Media
ISBN 13 : 3662052318
Total Pages : 466 pages
Book Rating : 4.6/5 (62 download)
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.
Author : S.D. Schwartz
Publisher : Springer Science & Business Media
ISBN 13 : 0306469499
Total Pages : 314 pages
Book Rating : 4.3/5 (64 download)
Download or read book Theoretical Methods in Condensed Phase Chemistry written by S.D. Schwartz and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping.
Author : Bruce J Berne
Publisher : World Scientific
ISBN 13 : 9814496057
Total Pages : 881 pages
Book Rating : 4.8/5 (144 download)
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Author : Andrzej Koleżyński
Publisher : Springer
ISBN 13 : 3030013553
Total Pages : 529 pages
Book Rating : 4.0/5 (3 download)
Download or read book Molecular Spectroscopy—Experiment and Theory written by Andrzej Koleżyński and published by Springer. This book was released on 2018-10-10 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews various aspects of molecular spectroscopy and its application in materials science, chemistry, physics, medicine, the arts and the earth sciences. Written by an international group of recognized experts, it examines how complementary applications of diverse spectroscopic methods can be used to study the structure and properties of different materials. The chapters cover the whole spectrum of topics related to theoretical and computational methods, as well as the practical application of spectroscopic techniques to study the structure and dynamics of molecular systems, solid-state crystalline and amorphous materials, surfaces and interfaces, and biological systems. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in the latest developments in the theory, experimentation, measurement and application of various advanced spectroscopic methods for the study of materials.
Author : Joshua Jortner
Publisher : Springer Science & Business Media
ISBN 13 : 9401107866
Total Pages : 562 pages
Book Rating : 4.4/5 (11 download)
Download or read book Reaction Dynamics in Clusters and Condensed Phases written by Joshua Jortner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Twenty Sixth Jerusalem Symposium reflected the high standards of these distinguished scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was reaction dynamics in clusters and condensed phases, which constitutes a truly interdisciplinary subject of central interest in the areas of chemical dynamics, kinetics, photochemistry and condensed matter chemical physics. The main theme of the Symposium was built around the exploration of the interrelationship between the dynamics in large finite clusters and in infinite bulk systems. The main issues addressed microscopic and macroscopic sol vation phenomena, cluster and bulk spectroscopy, photodissociation and vibrational predissociation, cage effects, interphase dynamics, reaction dynamics and energy transfer in clusters, dense fluids, liquids, solids and biophysical systems. The interdisciplinary nature of this research area was deliberated by intensive and extensive interactions between modern theory and advanced experimental methods. This volume provides a record of the invited lectures at the Symposium.
Author : Sidney Yip
Publisher : Springer Science & Business Media
ISBN 13 : 1402032862
Total Pages : 2903 pages
Book Rating : 4.4/5 (2 download)
Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
Author : Tamotsu Kondow
Publisher : World Scientific
ISBN 13 : 9810238932
Total Pages : 293 pages
Book Rating : 4.8/5 (12 download)
Download or read book Progress in Experimental and Theoretical Studies of Clusters written by Tamotsu Kondow and published by World Scientific. This book was released on 2003 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The cluster which is an ensemble of two thousands of atoms or molecules, has emerged as a completely new class of materials at the frontier of materials science. The frontier of cluster science extends so rapidly that the map of the science is renewed day by day. In order to provide basic knowledge and recent information on this growing field, 14 world-renowned scientists who are actively involved experimentally and theoretically in cluster science have written this book, which is concise, comprehensive, suitable for students at both the undergraduate and the graduate level, as well as people who work outside cluster science.
Author : United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development
Publisher :
ISBN 13 :
Total Pages : 1850 pages
Book Rating : 4.:/5 ( download)
Download or read book Energy and water development appropriations for 1991 written by United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development and published by . This book was released on 1990 with total page 1850 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development
Publisher :
ISBN 13 :
Total Pages : 1846 pages
Book Rating : 4.F/5 ( download)
Download or read book Energy and Water Development Appropriations for 1993 written by United States. Congress. House. Committee on Appropriations. Subcommittee on Energy and Water Development and published by . This book was released on 1992 with total page 1846 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Fred Manby
Publisher : CRC Press
ISBN 13 : 1439808376
Total Pages : 214 pages
Book Rating : 4.4/5 (398 download)
Download or read book Accurate Condensed-Phase Quantum Chemistry written by Fred Manby and published by CRC Press. This book was released on 2010-08-02 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which allow one to approach very high accuracy, provided t
Author : Tamiki Komatsuzaki
Publisher : John Wiley & Sons
ISBN 13 : 0470643714
Total Pages : 276 pages
Book Rating : 4.4/5 (76 download)
Download or read book Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems written by Tamiki Komatsuzaki and published by John Wiley & Sons. This book was released on 2011-09-13 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.
Author : Corey Andreu Beck
Publisher :
ISBN 13 :
Total Pages : 115 pages
Book Rating : 4.:/5 (847 download)
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.
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470126175
Total Pages : 464 pages
Book Rating : 4.4/5 (71 download)
Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: THIS BOOK HAS SIX TUTORIALS AND REVIEWS WRITTEN BY INVITED EXPERTS. FIVE CHAPTERS TEACH TOPICS IN QUANTUM MECHANICS AND MOLECULAR SIMULATIONS. THE SIXTH CHAPTER EXPLAINS HOW PROGRAMS FOR CHEMICAL STRUCTURE DRAWING WORK. AN EDITORIAL DISCUSSES SOME OF THE MOST WELL-KNOWN PERSONAGES IN COMPUTATIONAL CHEMISTRY. FROM REVIEWS OF THE SERIES "Anyone who is doing or intends to do computational research on molecular structure and design should seriously consider purchasing this book for his or her personal library."-JOURNAL OF COMPUTATIONAL CHEMISTRY. "These reviews are becoming regarded as the standard reference among both specialists and novices in the expanding field of computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING. "[This book is] written for newcomers learning about molecular modeling techniques as well as for seasoned professionals who need to acquire expertise in areas outside their own."-JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCE.
Author : Martin Schoen
Publisher : Springer Science & Business Media
ISBN 13 : 3540475907
Total Pages : 143 pages
Book Rating : 4.5/5 (44 download)
Download or read book Computer Simulation of Condensed Phases in Complex Geometries written by Martin Schoen and published by Springer Science & Business Media. This book was released on 2008-09-11 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecularly small confined phases play an important role in many scientific and engineering disciplines. For instance, the confining membrane of a living cell is known to affect the structure and transport of cellular water, which mediates the cell's metabolism and other biochemical processes. Transport of hazardous waste through the soil is strongly influenced by the adsorption of bulk phase molecules on the confining mineral _surfaces. Finally, molecularly thin confined fluid films play a prominent part in lubrication. These examples illustrate the broad range of natural and commercial processes to which the present subject pertains. Much experimental effort has been devoted to molecularly small confined phases, revealing the intriguing nature of such systems. Several sections of this book are therefore devoted to descriptions of experimental techniques. To date even the most refined experiments do not yield direct information about structure and processes on the molecular scale. Computer simulations, on the other hand, do give such information and therefore complement real laboratory experiments. Several sections of this book discuss the link between experiments and the corre sponding simulations.
