A simple model of liquid / liquid solubility has been developed. The existing solubility parameter theory which tries to explain solvent - salute interaction in terms of dispersion , polar , and hydrogen bonding interactions is discussed. The current theory has been widely used qualitatively but can not be used quantitatively due largely to incorrect modeling of the hydrogen bonding interactions. This research proposes modifications to the current solubility parameter theory that are designed to overcome the problems encountered with hydrogen bonding interactions in which the hydrogen bonding interactions are described as a special case of more general Lewis acid - base or donor acceptor interactions. The specific electron - pair acceptor -...
One of two fundamental types of solute-solvent intermolecular interactions are the specific interact...
Thesis (Ph.D.)-University of Natal, Durban, 1995The theoretical and experimental work in this thesis...
For about 300 solvents, we propose a database of new solvent parameters describing empirically solut...
A simple model of liquid / liquid solubility has been developed. The existing solubility parameter t...
The central objective of this work is to revisit the development of the widely used Lewis acidity/ba...
Article on a general treatment of solubility and quantitative structure-property relationship (QSPR)...
International audienceFor about 300 solvents, we propose a database of new solvent parameters descri...
The development of computational models for predicting drug solubility has increased drastically dur...
This article calculates Abraham model solute descriptors using published solubility data for 4,5-dih...
Solubility of a drug/drug candidate is one of the most important required physico-chemical propertie...
International audienceFor about 300 solvents, we propose a database of new solvent parameters descri...
International audienceFor about 300 solvents, we propose a database of new solvent parameters descri...
International audienceFor about 300 solvents, we propose a database of new solvent parameters descri...
Using a combination of classical molecular dynamics and symmetry adapted intermolecular perturbation...
Accurate solubility prediction is crucial across a range of scientific disciplines including drug ...
One of two fundamental types of solute-solvent intermolecular interactions are the specific interact...
Thesis (Ph.D.)-University of Natal, Durban, 1995The theoretical and experimental work in this thesis...
For about 300 solvents, we propose a database of new solvent parameters describing empirically solut...
A simple model of liquid / liquid solubility has been developed. The existing solubility parameter t...
The central objective of this work is to revisit the development of the widely used Lewis acidity/ba...
Article on a general treatment of solubility and quantitative structure-property relationship (QSPR)...
International audienceFor about 300 solvents, we propose a database of new solvent parameters descri...
The development of computational models for predicting drug solubility has increased drastically dur...
This article calculates Abraham model solute descriptors using published solubility data for 4,5-dih...
Solubility of a drug/drug candidate is one of the most important required physico-chemical propertie...
International audienceFor about 300 solvents, we propose a database of new solvent parameters descri...
International audienceFor about 300 solvents, we propose a database of new solvent parameters descri...
International audienceFor about 300 solvents, we propose a database of new solvent parameters descri...
Using a combination of classical molecular dynamics and symmetry adapted intermolecular perturbation...
Accurate solubility prediction is crucial across a range of scientific disciplines including drug ...
One of two fundamental types of solute-solvent intermolecular interactions are the specific interact...
Thesis (Ph.D.)-University of Natal, Durban, 1995The theoretical and experimental work in this thesis...
For about 300 solvents, we propose a database of new solvent parameters describing empirically solut...