6533b823fe1ef96bd127e9d1
RESEARCH PRODUCT
An experimentalist point of view on quantitative elaboration of theoretical models
M.b. Palma-vittorellisubject
Inorganic ChemistryStructure (mathematical logic)Theoretical physicsChemistryMaterials ChemistryTheoretical modelsPoint (geometry)Physical and Theoretical ChemistryElaborationVariety (cybernetics)description
Abstract In a number of problems of solute–solute–solvent interaction, information on the geometrical structure of solvent in the near neighborhood of solute is now available. This was obtained from a variety of experiments as well as from numerical calculations. The present trend in computer simulation as well as an experimental techniques seems to appropriately be towards an extension of this information to include thermal disorder. Despite these efforts, other aspects of solute–solute–solvent interaction do not seem likely to find exhaustive answers through a study of the geometrical configurations of solvent molecules around the solute. More detailed calculations of inter- and intra-molecular dynamical behaviour would not only add appreciably to our knowledge and description of the behaviour of water in the phase-space. It would also provide ampler grounds for comparison between theoretical expectations and experimental findings, now available in this area. In turn, this could hopefully provide a better insight on the possible role of solvent motional modes on solute–solute–solvent interaction.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1980-01-01 | Inorganica Chimica Acta |