Ушбу ишга иқтибос қилган ишлар

5 та иш

Иш: Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine Learning

1. A theoretical study on adsorption and sensing of SO2, CS2, CO2, CH2O, H2O, C2H2, and CF3H air pollutant gases by B3S monolayer

   Mohamed J. Saadh, Nizomiddin Juraev, Mohammed Ahmed Mustafa +6

   Мақола2D Materials and ApplicationsStructural Chemistry20241 иқтибос

   ABIABI:AkademIndex/openalex/2024.article.001115

2. Branched [4]Phenylene molecular unit for adsorption, removal, and selective sensing of toxic and volatile gases: Insights from DFT and TD-DFT analyses

   Bhishma Karki, Ali B.M. Ali, Egambergan Khudoynazarov +8

   МақолаCovalent Organic Framework ApplicationsMaterials Chemistry and Physics20250 иқтибос

   ABIABI:AkademIndex/openalex/2025.article.001405

3. Discriminative adsorption and sensing of air pollutants for public health by graphdiyne: irreversible adsorption and selectivity toward NO2 revealed by DFT

   Bhishma Karki, Ali B.M. Ali, G. PadmaPriya +8

   МақолаGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20260 иқтибос

   ABIABI:AkademIndex/openalex/2026.article.004253

4. Selective gas sensing and electronic response of Al-decorated phographene (Al-d-PHOG) nanosheets: Insights from DFT and electron density analyses

   Bhishma Karki, Ahmed Aldulaimi, Omayma Salim Waleed +8

   МақолаGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20260 иқтибос

   ABIABI:AkademIndex/openalex/2026.article.004600

5. Selective detection of atmospheric pollutant gases on a B2C3N nanosheet: A comprehensive DFT, electronic structure, and topological analysis of adsorption mechanisms

   Nagendra P. Yadav, Ghada Al-Assi, Ahmed Aldulaimi +8

   МақолаBoron and Carbon Nanomaterials ResearchJournal of Physics and Chemistry of Solids20260 иқтибос

   ABIABI:AkademIndex/openalex/2026.article.012459