I present a short review of the relationship between quantum-mechanical calculations on small molecular clusters of some metal-ion halides and studies of the microscopic structure in the condensed liquid phases of these compounds. The review is dedicated to the memory of Professor Vincenzo Grasso
Molecular dynamics imulations of structural and dynamic haracteristics of molecular clusters are pro...
Atomic clusters are the bridge between molecules and the bulk matter. Following two key experiments ...
The aim of the thesis was to investigate the intermolecular interactions and dynamics of cryogenic h...
Abstract: Metal clusters are of great interest both in molecular and solid state chemistry. They pro...
Insights into the structure of simple liquids are presented from analysis of the effect of the range...
In what follows we use the term cluster to designate a cohesive group of like atoms (molecules), i.e...
Clusters of Atoms and Molecules is devoted to theoretical concepts and experimental techniques impor...
Author Institution: Department of Chemistry, University of TorontoInterest in the electronic structu...
Les travaux décrits dans cette thèse ont porté sur l'application de méthodes de la chimie quantique ...
The electron density function of molecular systems supplies a package of information. Quantum mechan...
The bond and molecular polarizabilities are studied for the gas-phase metal halides using delta-func...
The PhD research is dedicated to study of small clusters containing 3d-block metals. Although these ...
Since it became possible to study experimentally the evolution of a metal and the transition from at...
International audienceAlthough there will always be an Edisonian component to a search for new clust...
The optimised structures, electronic dissociation energies and harmonic vibrational frequencies of m...
Molecular dynamics imulations of structural and dynamic haracteristics of molecular clusters are pro...
Atomic clusters are the bridge between molecules and the bulk matter. Following two key experiments ...
The aim of the thesis was to investigate the intermolecular interactions and dynamics of cryogenic h...
Abstract: Metal clusters are of great interest both in molecular and solid state chemistry. They pro...
Insights into the structure of simple liquids are presented from analysis of the effect of the range...
In what follows we use the term cluster to designate a cohesive group of like atoms (molecules), i.e...
Clusters of Atoms and Molecules is devoted to theoretical concepts and experimental techniques impor...
Author Institution: Department of Chemistry, University of TorontoInterest in the electronic structu...
Les travaux décrits dans cette thèse ont porté sur l'application de méthodes de la chimie quantique ...
The electron density function of molecular systems supplies a package of information. Quantum mechan...
The bond and molecular polarizabilities are studied for the gas-phase metal halides using delta-func...
The PhD research is dedicated to study of small clusters containing 3d-block metals. Although these ...
Since it became possible to study experimentally the evolution of a metal and the transition from at...
International audienceAlthough there will always be an Edisonian component to a search for new clust...
The optimised structures, electronic dissociation energies and harmonic vibrational frequencies of m...
Molecular dynamics imulations of structural and dynamic haracteristics of molecular clusters are pro...
Atomic clusters are the bridge between molecules and the bulk matter. Following two key experiments ...
The aim of the thesis was to investigate the intermolecular interactions and dynamics of cryogenic h...
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