Litcius/Paper detail

Efficient Absorption and Sensing of Haloacetonitriles on Fullerene C20 Surface at DFT Level

Somayeh Rahimi, Foad Buazar, Arash Larki

2023Water Air & Soil Pollution19 citationsDOI

Topics & Concepts

AdsorptionFullereneDensity functional theoryNatural bond orbitalChemistryComputational chemistryGibbs free energyEnthalpyPhysical chemistryBand gapExothermic reactionChemical physicsMaterials scienceThermodynamicsOrganic chemistryPhysicsOptoelectronicsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchEnergetic Materials and Combustion
Efficient Absorption and Sensing of Haloacetonitriles on Fullerene C20 Surface at DFT Level | Litcius