Experimental and Theoretical Studies of Small Molecules in the Liquid State

Experimental and Theoretical Studies of Small Molecules in the Liquid State PDF Author: Thomas Clark Stringfellow
Publisher:
ISBN:
Category :
Languages : en
Pages : 412

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Experimental and Theoretical Studies of Small Molecules in the Liquid State

Experimental and Theoretical Studies of Small Molecules in the Liquid State PDF Author: Thomas Clark Stringfellow
Publisher:
ISBN:
Category :
Languages : en
Pages : 412

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Theory of Simple Liquids

Theory of Simple Liquids PDF Author: Jean-Pierre Hansen
Publisher: Elsevier
ISBN: 0080571018
Category : Science
Languages : en
Pages : 569

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Book Description
This book gives a comprehensive and up-to-date treatment of the theory of "simple" liquids. The new second edition has been rearranged and considerably expanded to give a balanced account both of basic theory and of the advances of the past decade. It presents the main ideas of modern liquid state theory in a way that is both pedagogical and self-contained. The book should be accessible to graduate students and research workers, both experimentalists and theorists, who have a good background in elementary mechanics. - Compares theoretical deductions with experimental results - Molecular dynamics - Monte Carlo computations - Covers ionic, metallic, and molecular liquids

Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations

Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations PDF Author: Jannis Samios
Publisher: Springer Science & Business Media
ISBN: 1402023847
Category : Science
Languages : en
Pages : 548

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Book Description
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.

Theory of Simple Liquids

Theory of Simple Liquids PDF Author: Jean-Pierre Hansen
Publisher: Elsevier
ISBN: 0080455077
Category : Science
Languages : en
Pages : 430

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Book Description
The third edition of Theory of Simple Liquids is an updated, advanced, but self-contained introduction to the principles of liquid-state theory. It presents the modern, molecular theory of the structural, thermodynamic interfacial and dynamical properties of the liquid phase of materials constituted of atoms, small molecules or ions. This book leans on concepts and methods form classical Statistical Mechanics in which theoretical predictions are systematically compared with experimental data and results from numerical simulations. The overall layout of the book is similar to that of the previous two editions however, there are considerable changes in emphasis and several key additions including:•up-to-date presentation of modern theories of liquid-vapour coexistence and criticality•areas of considerable present and future interest such as super-cooled liquids and the glass transition•the area of liquid metals, which has grown into a mature subject area, now presented as part of the chapter ionic liquids•Provides cutting-edge research in the principles of liquid-state theory•Includes frequent comparisons of theoretical predictions with experimental and simulation data•Suitable for researchers and post-graduates in the field of condensed matter science (Physics, Chemistry, Material Science), biophysics as well as those in the oil industry

Theoretical Studies of Small Molecules with Applications to Ion Fragment and Photoelectron Experiments

Theoretical Studies of Small Molecules with Applications to Ion Fragment and Photoelectron Experiments PDF Author: David Edvardsson
Publisher:
ISBN: 9789155447472
Category : Ionic structure
Languages : en
Pages : 47

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Experimental and Theoretical Studies of Weakly Bound Molecules

Experimental and Theoretical Studies of Weakly Bound Molecules PDF Author: Helen Oi-Lun Leung
Publisher:
ISBN:
Category : Intermolecular forces
Languages : en
Pages : 410

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The Structure of Small Molecules and Ions

The Structure of Small Molecules and Ions PDF Author: Ron Naaman
Publisher: Springer
ISBN:
Category : Gardening
Languages : en
Pages : 380

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Book Description
The workshop on "The structure of small molecules and ions" was held at the Neve-Han guest house, near Jerusalem, Israel on December 13 to 18 in mem ory of the late Professor Itzhak Plesser. Professor Plesser played a central role in the research done both at the Weizmann Institute and at Argonne National Laboratories on the "Coulomb explosion" method. His friends honored his memory by organizing a meeting in which subjects related to Plesser's interests would be discussed. Just a week be fore the conference started we were struck by another tragedy -the death of our graduate student Ms. Hana Kovner, who participated in many of the Coulomb explosion experiments at the Weizmann Institute. We would like to dedicate these proceedings to her memory as well. The goal of the workshop was to bring together chemists and physicists working on different aspects of the structural problems of small molecular en tities. The time seemed appropriate for discussing experimental and theoretical concepts, since in recent years new methods have been introduced, and a large amount of information has been accumulated on systems not studied before, like unstable molecules, ions, van der Waals molecules and clusters. The program of the workshop reflects, we believe, these new developments. The meeting was characterized by intensive discussions in which the weak nesses and strengths of new and of well established concepts were revealed. We hope that it measured up to the high standards Itzhak Plesser maintained all through his scientific life.

Gulliver in the Country of Lilliput

Gulliver in the Country of Lilliput PDF Author: Ilya G. Shenderovich
Publisher: MDPI
ISBN: 3036504303
Category : Science
Languages : en
Pages : 216

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Book Description
Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure.

Studies of Interaction of Small Molecules with Water Condensed Media [electronic Resource]

Studies of Interaction of Small Molecules with Water Condensed Media [electronic Resource] PDF Author: Sergey Mitlin
Publisher: University of Waterloo
ISBN:
Category :
Languages : en
Pages :

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Theory of Simple Liquids

Theory of Simple Liquids PDF Author: Jean-Pierre Hansen
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 424

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Book Description
This book gives an account of the theory of simple liquids. It emphasizes the comparison of theoretical deductions with experimental results, which includes the results of molecular dynamics "experiments" and Monte Carlo computations.