In this study, a new simple three-parameter equation is presented for calculation/prediction of the diffusion coefficient of nonelectrolyte organic compounds in water at infinite dilution. The model variables include three molecular-based descriptors. The model is developed using the genetic function approximation (GFA) method. The GFA is applied to select the parameters of the model from more than 3000 molecular-based parameters. To propose a comprehensive and predictive model, 4728 pure chemical compounds are investigated. Furthermore, several statistical methods are implemented to evaluate the predictive power of the model. The root-mean-square of error and the average relative deviation of the model are approximately equal to 3.13 × 10<...
An investigation was undertaken to study the measurement of diffusion coefficients of several pharma...
In this article, we present a comprehensive quantitative structure–property relationship (QSPR) to e...
Intra-diffusion coefficients of seven chlorophenols (2-chlorophenol, 3-chlorophenol, 4-chlorophenol,...
This paper was published ASAP on April 12, 2011. Equation 1 was updated. The revised paper was repos...
Abstract: In this paper, we calculated 37 structural descriptors of 174 organic compounds. The 154 m...
Intradiffusion coefficients of 2,2,2-trifluoroethanol in water have been measured by the pulsed fiel...
Diffusion-ordered nuclear magnetic resonance (NMR) spectroscopy is widely used for the analysis of m...
Recently, rates of molecular diffusion of organic species within organic-water particles of atmosphe...
Cholophenols have found extensive industrial applications as wood preservatives or intermediated com...
Intradiffusion coefficients of 2,2,2-trifluoroethanol in water have been measured by the pulsed fiel...
The DAq(c) concentration dependences of the self-diffusion coefficients of water molecules in aqueou...
International audienceThe solubility parameter is considered to be a significant parameter for the ch...
The association parameter in the diffuswn equaiior, dye fo Wiike one Chong has been interpreted in d...
The application of a commonly used computer algorithm based on the group-additivity method for the c...
Biomass substrates and other natural products com-prise a number of biological solutes such as sugar...
An investigation was undertaken to study the measurement of diffusion coefficients of several pharma...
In this article, we present a comprehensive quantitative structure–property relationship (QSPR) to e...
Intra-diffusion coefficients of seven chlorophenols (2-chlorophenol, 3-chlorophenol, 4-chlorophenol,...
This paper was published ASAP on April 12, 2011. Equation 1 was updated. The revised paper was repos...
Abstract: In this paper, we calculated 37 structural descriptors of 174 organic compounds. The 154 m...
Intradiffusion coefficients of 2,2,2-trifluoroethanol in water have been measured by the pulsed fiel...
Diffusion-ordered nuclear magnetic resonance (NMR) spectroscopy is widely used for the analysis of m...
Recently, rates of molecular diffusion of organic species within organic-water particles of atmosphe...
Cholophenols have found extensive industrial applications as wood preservatives or intermediated com...
Intradiffusion coefficients of 2,2,2-trifluoroethanol in water have been measured by the pulsed fiel...
The DAq(c) concentration dependences of the self-diffusion coefficients of water molecules in aqueou...
International audienceThe solubility parameter is considered to be a significant parameter for the ch...
The association parameter in the diffuswn equaiior, dye fo Wiike one Chong has been interpreted in d...
The application of a commonly used computer algorithm based on the group-additivity method for the c...
Biomass substrates and other natural products com-prise a number of biological solutes such as sugar...
An investigation was undertaken to study the measurement of diffusion coefficients of several pharma...
In this article, we present a comprehensive quantitative structure–property relationship (QSPR) to e...
Intra-diffusion coefficients of seven chlorophenols (2-chlorophenol, 3-chlorophenol, 4-chlorophenol,...