[HTML][HTML] On the behavior of quercetin+ organic solvent solutions and their role for C60 fullerene solubilization
The nature of flavonoids in polar organic solvents solutions is studied using classical
molecular dynamics simulations considering quercetin as an archetypical flavonoid and …
molecular dynamics simulations considering quercetin as an archetypical flavonoid and …
Externally predictive quantum-mechanical models for the adsorption of aromatic organic compounds by graphene-oxide nanomaterials
Graphene oxide is most often chosen as an alternative to graphene in the applications of
carbon-based nanomaterials where adsorption is the primary process. However, its …
carbon-based nanomaterials where adsorption is the primary process. However, its …
Concentration-dependent adsorption of organic contaminants by graphene nanosheets: quantum-mechanical models
Adsorption is the key process in the expression of environmentally relevant physicochemical
and toxicological properties of carbon nanomaterials. However, the adsorption of organic …
and toxicological properties of carbon nanomaterials. However, the adsorption of organic …
Chemometric Modeling of Daphnia Toxicity: Quantum‐Mechanical Insights
Reenu, Vikas - Chemometrics and Cheminformatics in Aquatic …, 2021 - Wiley Online Library
Over the past many decades, chemical toxicity to Daphnia magna has been extensively
modeled. The existing models are based on a wide range of descriptors but mainly …
modeled. The existing models are based on a wide range of descriptors but mainly …