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Identifier

uch.chemistry.phd//1999fanourgakis

Title

Μελέτη των ιοντικών Clusters της μορφής X+ Ln. Εφαρμογή στα Clusters Mg+ Arn, Sr+ Arn

Alternative Title

Study of ionic Clusters of the form X+ Ln. Application on Mg+ Arn, Sr+ Arn Clusters

Author

Φανουργάκης, Γιώργος Σ

Thesis advisor

Φαράντος, Σταύρος

Abstract

This thesis refers to the theoretical treatment of ionic clusters of the form X⁺L_n (X : metallic atom and L : noble gas atom). Specifically, we have studied the Sr⁺ Ar_n and Mg⁺ Ar_n clusters, systems on which recent experiments have been conducted. Some of the fundamental questions we have addressed are: a) What is the nature of the interactions and through which models we can describe them. b) What are the structures of these clusters. c) What are the special features of the clusters emerging as ''magic'' numbers in the experimental mass spectra. d) What are the thermodynamical characteristics of the ionic clusters (e.g. phase transition, entropy) and how they are related to their dynamical properties (e.g. isomerization process). e) In what extent simple models, commonly employed in studying molecules and chemical processes -such as the harmonic approximation or transition state theory - can yield even qualitative agreement to the more accurate molecular dynamics methods. f) How satisfying is the use of classical mechanics in the treatment of these systems. g) How can we relate the experimental results to the theoretical calculations.

Language

Greek

Issue date

1999-12-01

Collection

School/Department--School of Sciences and Engineering--Department of Chemistry--Doctoral theses

Type of Work--Doctoral theses

Views

198

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