Characterization and prediction of double-layer capacitance of nanoporous carbon materials using the Quantitative nano-Structure-Property Relationship approach …
The development of nanoporous carbon-based energy storage is a fast-growing area. To
assist these developments, it is necessary to establish simple criteria and relationships …
assist these developments, it is necessary to establish simple criteria and relationships …
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 …
Exploring the role of quantum‐mechanical descriptors in the concentration‐dependent adsorption of aromatic organic compounds by multiwalled carbon nanotubes
An accurate quantitative prediction for concentration‐dependent adsorption of organic
compounds by carbon‐nanotubes (CNTs) is increasingly in demand to evaluate not only …
compounds by carbon‐nanotubes (CNTs) is increasingly in demand to evaluate not only …
Chemometric Modeling of Emerging Materials for the Removal of Environmental Pollutants
S Kar, J Leszczynski - Emerging Materials and Environment, 2023 - Springer
Widespread usage of pharmaceuticals, personal care products (PPCPs), and agrochemicals
followed by the release of household waste, industrial and hospital wastes has affected the …
followed by the release of household waste, industrial and hospital wastes has affected the …
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 …
Modeling the Solubility of C70 Fullerenes in Diverse Solvents: Role of Quantum‐mechanical Descriptors
Solubility of fullerenes in diverse solvents is difficult to model owing to the involvement of
inherent quantum‐mechanical interactions. This work proposes pure quantum mechanical …
inherent quantum‐mechanical interactions. This work proposes pure quantum mechanical …
Quantum-mechanical LSERs for the concentration-dependent adsorption of aromatic organic compounds by activated carbon: Applications and comparison with …
Carbon nanotubes (CNTs) have taken precedence over activated carbon in various
applications where adsorption is the primary process. The adsorption of chemical …
applications where adsorption is the primary process. The adsorption of chemical …
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 …
QSPR modeling of adsorption of pollutants by carbon nanotubes (CNTs)
Harmful effects produced by hazardous chemicals/pollutants toward the environment have
been a serious issue of concern since the past. Therefore, a cherished goal of chemists lies …
been a serious issue of concern since the past. Therefore, a cherished goal of chemists lies …
[PDF][PDF] Nanoporous carbon: the controlled nanostructure, and structure-property relationships
M KÄÄRIK - core.ac.uk
Environmental issues are becoming more and more topical every year and therefore more
and more attention is being paid to the introduction of new renewable energy sources. The …
and more attention is being paid to the introduction of new renewable energy sources. The …