Download or read book Vibration rotation tunneling Spectroscopy of Water Clusters written by Heather Ann Harker and published by . This book was released on 2004 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Structure and Properties of Clusters from a few Atoms to Nanoparticles written by George Maroulis and published by CRC Press. This book was released on 2006-10-27 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles. Special emphasis is given to bringing forth new insights on the structure and properties of these systems with an eye towards potential applications in Materials Science. Overal, the volume presents to the readers an amazing wealth of new results. Particular subjects include water clusters, Silicon, Iron, Nickel and Gold clusters, carbon-titanium microclusters and nanoparticles, fullerenes, carbon nanotubes, chiral carbon nanotubes, boron nanoclusters and more.
Download or read book Vibration rotation tunneling Dynamics in Small Water Clusters written by Nick Pugliano and published by . This book was released on 1992 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopic Investigations of Hydrogen Bond Network Structures in Water Clusters written by Kenta Mizuse and published by Springer Science & Business Media. This book was released on 2013-01-22 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt: The properties and nature of water clusters studied with novel spectroscopic approaches are presented in this thesis. Following a general introduction on the chemistry of water and water clusters, detailed descriptions of the experiments and analyses are given. All the experimental results, including first size-selective spectra of large clusters consisting of 200 water molecules, are presented with corresponding analyses. Hitherto unidentified hydrogen bond network structures, dynamics, and reactivity of various water clusters have been characterized at the molecular level. The main targets of this book are physical chemists and chemical physicists who are interested in water chemistry or cluster chemistry.
Download or read book Practical Aspects of Computational Chemistry V written by Jerzy Leszczynski and published by Springer Nature. This book was released on 2021-10-21 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference “Current Trends in Computational Chemistry”, organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent theoretical and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers.
Download or read book Handbook of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-14 with total page 1451 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.
Download or read book Interfacial Dynamics written by Nikola Kallay and published by CRC Press. This book was released on 2000-01-03 with total page 780 pages. Available in PDF, EPUB and Kindle. Book excerpt: An examination of the theoretical foundations of the kinetics and thermodynamics of solid-liquid interfaces, as well as state-of-the-art industrial applications, this book presents information on surface and colloidal chemical processes and evaluates vital analytical tools such as atomic force microscopy, surface force apparatus measurements, and photon correlation spectroscopy.
Download or read book Intra and Intermolecular Interactions between Non covalently Bonded Species written by Elliot R. Bernstein and published by Elsevier. This book was released on 2020-09-10 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. - Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. - Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. - Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.
Download or read book Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. - Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion - Presents the most recent developments in the detection and interpretation of ultra-fast phenomena - Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Download or read book Handbook of High resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Download or read book Water written by Sheng Meng and published by Springer Nature. This book was released on 2023-06-19 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the fundamentals for understanding the essential problems and latest progresses in basic water science. Water is the most abundant, fundamental and important matter in nature. Arguably it is also the material that human beings study the most but misunderstand the most. Compared with the environmental science and engineering research activities on water resources, water pollution and water usage closely related to social problems at the macro level, basic scientific research on water at the molecular level has just emerged, the impact of which is not fully recognized yet. This book is devoted to introducing some important advances in the field of basic water science in past decades, with a particular emphasis on recent results on water and the interactions between water and solid surfaces at the molecular level. Starting from introducing concepts and popular theoretical and experimental methods for basic water research, this book mainly focuses on the atomic composition, electronic structure, and physicochemical properties of water molecules, water clusters and water layers (including surface water layers and water surface layers), rules for water adsorption on metals, oxides, and other typical solid surfaces such as salt, as well as the microscopic processes and mechanisms of water diffusion, wetting, decomposition and phase transformations under a variety of conditions. It is a good reference book for students and researchers in water-related science.
Download or read book Microcluster Physics written by Satoru Sugano and published by Springer Science & Business Media. This book was released on 2013-03-07 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: A lucid account of the fundamental physics of all types of microclusters, outlining the dynamics and static properties of this new phase of matter between a solid and a molecule. Since the book's first publication, the field of microclusters has experienced surprising developments, which are reviewed in this new edition: The determination of atomic structure, spontaneous alloying, super-shell, fission, fragmentation, evaporation, magnetism, fullerenes, nanotubes, atomic structure of large silicon clusters, superfluidity of a He cluster, water clusters in liquid, electron correlation and optimizsation of the geometry, and scattering.
Download or read book Theory of Atomic and Molecular Clusters written by Julius Jellinek and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: The emergence and spectacularly rapid evolution of the field of atomic and molecular clusters are among the most exciting developments in the recent history of natural sciences. The field of clusters expands into the traditional disciplines of physics, chemistry, materials science, and biology, yet in many respects it forms a cognition area of its own. This book presents a cross section of theoretical approaches and their applications in studies of different cluster systems. The contributions are written by experts in the respective areas. The systems discussed range from weakly (van der Waals) bonded, through hydrogen- and covalently bonded, to semiconductor and metallic clusters. The theoretical approaches involve high-level electronic structure computations, more approximate electronic structure treatments, use of semiempirical potentials, dynamical and statistical analyses, and illustrate the utility of both classical and quantum mechanical concepts.
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.
Download or read book Vibrational Dynamics Of Molecules written by Joel M Bowman and published by World Scientific. This book was released on 2022-06-14 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
Download or read book A Journey Through Water A Scientific Exploration of The Most Anomalous Liquid on Earth written by Jestin Baby Mandumpal and published by Bentham Science Publishers. This book was released on 2017-03-01 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth, is a monograph about water at molecular level. The monograph explores how its peculiar properties are related to its molecular structure. Readers are introduced to water through information about water in a wider perspective, properties of its liquid state, experimental techniques for molecular level investigations of liquid water, and computer simulation techniques. This is followed by chapters explaining the structural properties and principal applications of various phases of water (water as a normal liquid, supercooled water, ice and supercritical water). Key features of this reference include: - easy to understand, sequential and structured text making this reference ideal for readers with limited scientific knowledge of water physics - a list of institutions where water research is promoted in larger scales - 130 figures which supplement the text - an explanation of ten principal anomalies of water and associated theories The book is an excellent resource for novice researchers (physicists, chemists and chemical engineers) working on water and laymen who are interested in furthering their understanding of this precious liquid.
Download or read book Drinking Water written by Vladyslav V. Goncharuk and published by Springer. This book was released on 2014-07-08 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book takes a broad and eclectic view of the water that all humanity depends upon, probing its role in human life and in the history of our planet, as well as surveying the latest scientific understanding of purification techniques and standards for the protection of water quality. The volume opens with a chapter on the role of drinking water in human life, which discusses the planet’s water resources, the quality of drinking water, water and health, the advent of water quality standards, “Green” chemistry and more. The chapter concludes by discussing the relationship of the biosphere and human civilization. Chapter Two explores the unique properties of water, the role of water in the scenario of development on Earth. Also covered is the current understanding of the importance of the isotopic composition of water, in particular the ratio of protium to deuterium, which is fundamental to life. The third chapter is devoted to Water Clusters, examining the structure, properties and formation of clusters. Also covered here is theoretical research on the interaction of water clusters with ozone, the impact of temperature on water clusters and more. Chapter Four is devoted to drinking water and factors affecting its quality. Discussion includes ecological and hygienic classification of centralized drinking water supply sources, water quality requirements, and problems and potentialities of drinking water preparation. The author introduces a new concept for supplying the population with high-quality drinking water. The fifth chapter examines the peculiarities and problems of water decontamination, with sections on chlorination, ozonation, the bactericidal effects of ultrasound and ultraviolet rays and more. Chapter Six offers a thorough exploration of the theory, means and methods of bio testing as an evaluation method for the quality of drinking water. The final chapter discusses new state standards for drinking water, as well as requirements and methods of quality control. The concluding selection relates the urgent need to measure, evaluate and protect the quality of drinking water and describes a new state standard of drinking water quality.
