RSC Advances · 2024 · 10 citations · 46 references
Natural SciencesChemistryMaterials ScienceNanomaterialsNanotechnologyPhysical ChemistryChemical SensorsDensity Functional TheoryGas SensorsNanomaterial CharacterizationNanosensorsSensor MaterialsChemical Sensor MaterialsNanomaterial-based SensorsNanostructured Sensor MaterialsNanostructured SensorsSensing ApplicationsVolatile Organic Compound Detection
The potentiality of the aluminium phosphide (Al 12 P 12 ) nanocage as a prospective sensor material towards methanol (MeOH) and ethanol (EtOH) molecules was investigated using density functional theory computations.
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VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations
Robert M. Parrish, Lori A. Burns, Daniel G. A. Smith et al. · Journal of Chemical Theory and Computation · 2017 · 1.2K citations · Full text
Natural Sciences, Chemistry, Physics +17