From Free Clusters to Condensed Phases PDF Download

Author:
Publisher:
ISBN:
Category : Chemical reaction, Conditions and laws of
Languages : en
Pages : 600

View

Book Description

Author: Christian Spickermann
Publisher: Springer Science & Business Media
ISBN: 364215736X
Category : Science
Languages : en
Pages : 233

View

Book Description
Predicting thermodynamic quantities for chemically realistic systems on the basis of atomistic calculations is still, even today, a nontrivial task. Nonetheless, accurate treatment of inter-particle interactions, in terms of quantum chemical first principles methods, is a prerequisite for many applications, because of the complexity of both reactants and solvents in modern molecular sciences. Currently, a straightforward calculation of thermodynamic properties from these methods is only possible for high-temperature and low- density systems. Although the enthalpy of a system can often be predicted to a good level of precision with this ideal gas approach, calculating the entropy contribution to the free energy is problematic, especially as the density of the system increases. This thesis contains a compact and coherent introduction of basic theoretical features. The foundations are then laid for the development of approaches suitable for calculation of condensed phase entropies on the basis of well-established quantum chemical methods. The main emphasis of this work is on realistic systems in solution, which is the most important environment for chemical synthesis. The presented results demonstrate how isolated molecular concepts typically employed in modern quantum chemistry can be extended for the accurate determination of thermodynamic properties by means of scale- transferring approaches.

Author: Loucas G. Christophorou
Publisher: Springer Science & Business Media
ISBN: 1461525403
Category : Science
Languages : en
Pages : 578

View

Book Description
The Advanced Study Institute (ASI) on "Linking the Gaseous and Condensed Phases of Matter: The Behavior of Slow Electrons" was held at Patras, Greece, September 5-18, 1993. The organizers of the Patras ASI felt that the study of the electronic properties of matter in various states of aggregation has advanced to a point where further progress required the interfacing of the phases of matter in order to find out and to understand how the microscopic and macroscopic properties of materials and processes change as we go from low pressure gas to the condensed phase. This approach is of foremost significance both from the point of view of basic research and of applications. Linking the electronic properties of the gaseous and condensed phases of matter is a fascinating new frontier of science embracing scientists not only from physics and chemistry but also from the life sciences and engineering. The Patras ASI brought together some of the world's foremost experts who work in the field of electronic properties of molecular gases, clusters, liquids, and solids. The thirty five lectures given at the meeting as well as the twenty nine poster papers presented and the formal and informal discussions that took place focused largely on the behavior of slow electrons in matter.

Author: Joshua Jortner
Publisher: Springer Science & Business Media
ISBN: 9401107866
Category : Science
Languages : en
Pages : 562

View

Book Description
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: Norman Henry March
Publisher: World Scientific
ISBN: 9814271772
Category : Science
Languages : en
Pages : 913

View

Book Description
This book provides a comprehensive review of seminal as well as recent results in the theory of condensed phases, including liquid metals, quantum liquids and Wigner crystals, along with selected applications, especially in the physical chemistry of molecules and clusters. A large part of this work is dedicated to The Thomasndash;Fermi semiclassical approximation for molecules and condensed phases, and its extension to inhomogeneous electron liquids and liquid metals. Correlation effects in quantum liquids and Wigner crystallization are other areas of focus of this work, with an emphasis towards the effect of low dimensionality and magnetic fields. The volume is a collection of reprints by N H March and collaborators over five decades.

Author: Peru Jena
Publisher: Springer Science & Business Media
ISBN: 9401726450
Category : Science
Languages : en
Pages : 1414

View

Book Description
Recent innovations in experimental techniques such as molecular and cluster beam epitaxy, supersonic jet expansion, matrix isolation and chemical synthesis are increasingly enabling researchers to produce materials by design and with atomic dimension. These materials constrained by sire, shape, and symmetry range from clusters containing as few as two atoms to nanoscale materials consisting of thousands of atoms. They possess unique structuraI, electronic, magnetic and optical properties that depend strongly on their size and geometry. The availability of these materials raises many fundamental questions as weIl as technological possibilities. From the academic viewpoint, the most pertinent question concerns the evolution of the atomic and electronic structure of the system as it grows from micro clusters to crystals. At what stage, for example, does the cluster look as if it is a fragment of the corresponding crystal. How do electrons forming bonds in micro-clusters transform to bands in solids? How do the size dependent properties change from discrete quantum conditions, as in clusters, to boundary constrained bulk conditions, as in nanoscale materials, to bulk conditions insensitive to boundaries? How do the criteria of classification have to be changed as one goes from one size domain to another? Potential for high technological applications also seem to be endless. Clusters of otherwise non-magnetic materials exhibit magnetic behavior when constrained by size, shape, and dimension. NanoscaIe metal particles exhibit non-linear opticaI properties and increased mechanical strength. SimiIarly, materials made from nanoscale ceramic particIes possess plastic behavior.

Author: Robert P. Donovan
Publisher: CRC Press
ISBN: 9780824703806
Category : Technology & Engineering
Languages : en
Pages : 466

View

Book Description
Recognizing the need for improved control measures in the manufacturing process of highly sensitized semiconductor technology, this practical reference provides in-depth and advanced treatment on the origins, procedures, and disposal of a variety of contaminants. It uses contemporary examples based on the latest hardware and processing apparatus to illustrate previously unavailable results and insights along with experimental and theoretical developments. Ensures the proper methods necessary to meet the standards established in the 1997 National Technology Roadmap for Semiconductors (NTRS)! Summarizing up-to-date control practices in the industry, Contamination-Free Manufacturing for Semiconductors and Other Precision Products: Details the physics and chemistry behind the mechanisms leading to contamination-induced failures Considers particles and molecular contaminants, including the entire spectrum of mass-based contaminants Outlines primary contamination problems and target control levels Reveals and offers solutions to inadequate areas of measurement capability and control technology Clarifies significant problems and decisions facing the industry by analyzing NTRS standards and contamination mechanisms Containing over 700 literature references, drawings, photographs, equations, and tables, Contamination-Free Manufacturing for Semiconductors and Other Precision Products is an essential reference for electrical and electronics, instrumentation, process, manufacturing, development, contamination control and quality engineers; physicists; and upper-level undergraduate and graduate students in these disciplines.

Author: C. Bechinger
Publisher: IOS Press
ISBN: 1614992789
Category : Science
Languages : en
Pages : 639

View

Book Description
Colloids are systems comprised of particles of mesoscopic size suspended in a liquid. They have recently been attracting increased attention from scientists and engineers due to the fact that they are nowadays present in many industrial products such as paints, oil additives, electronic ink displays and drugs. Colloids also serve as versatile model systems for phenomena and structures from solid-state physics, surface science and statistical mechanics, and can easily be studied using tabletop experiments to provide insight into processes not readily accessible in atomic systems. This book presents the lectures delivered at the 2012 Enrico Fermi School ‘Physics of Complex Colloids’, held in Varenna, Italy, in July 2012. The school addressed experimental, theoretical and numerical results and methods, and the lectures covered a broad spectrum of topics from the starting point of the synthesis of colloids and their use in commercial products. The lectures review the state-of-the-art of colloidal science in a pedagogical way, discussing both the basics and the latest results, and this book will serve as a reference for both students and experts in this rapidly growing field.

Author: J. R. Blackborow
Publisher: Springer Science & Business Media
ISBN: 364267285X
Category : Science
Languages : en
Pages : 215

View

Book Description
Metal Vapour Synthesis (MVS) can be defined as; "The use in synthesis of high temper ature gaseous species such as metal atoms by their reactions with themselves or other materials in a condensed phase. " This short book, covering the literature up to the middle of 1979, describes MVS in organic chemistry; i. e. the reactions of metal atoms with various, predominantly organic, substrates in the synthesis and reactivity studies of organic and organometallic compounds. In order to effectively describe all the underlying principles and to present a coesive picture of pertinent metal atom processes in condensed organic phases, some inorganic substrates such as rare gases, dinitrogen, dioxygen, dihalo gens, and inorganic halides have been included. For similar reasons, we have used, where relevent, information provided by the closely related technique of Matrix Isolation Spec troscopy (MIS). After an introductory chapter which gives the basis principles and includes a brief critique of the technique, the book is divided into three further chapters dealing respec tively with (a) experimental techniques, (b) behaviour of metal atoms in matrices, and (c) results of prep~rative experiments. While not being encyclopaedic the book describes or refers to all noteworthy areas if not in the deliberately short text in the many tables and figures.

Author:
Publisher: Cambridge University Press
ISBN: 0521820537
Category :
Languages : en
Pages : 235

View

Book Description