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Characterization of C 20 fullerene and its isolated C 20‐ n G e n derivatives (n = 1‐5) by alternating germanium atom(s) in equatorial position: A DFT survey
Characterizations of B and N heteroatoms as substitutional doping on structure, stability, and aromaticity of novel heterofullerenes evolved from the smallest fullerene cage C 20 : a density functional theory perspective
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Novel X- and Y-substituted heterofullerenes X4Y4C12 developed from the nanocage C20, where X = B, Al, Ga, Si and Y = N, P, As, Ge: a comparative investigation on their structural, stability, and electronic properties at DFT
Effects of arbuscular mycorrhizal inoculation and biochar amendment on maize growth, cadmium uptake and soil cadmium speciation in Cd-contaminated soil
Possibility of sensing, adsorbing, and destructing the Tabun-2D-skeletal (Tabun nerve agent) by C20 fullerene and its boron and nitrogen doped derivatives
Characterization of titanium influences on structure and thermodynamic stability of novel C20-nTin nanofullerenes (n=1–5): a density functional perspective
Preparation of modified membrane of polyvinylidene fluoride (PVDF) and evaluation of anti-fouling features and high capability in water/oil emulsion separation
Co-doping silver and iron on graphitic carbon nitride-carrageenan nanocomposite for the photocatalytic process, rapidly colorimetric detection and antibacterial properties
Sequential construction of stable nitrogen–oxygen compounds using high-throughput quantum mechanical calculations and customized machine learning model
Comparative investigation of reactivity, stability, structural and thermodynamic parameters of heterocyclic carboxylic acids and their benzofused derivatives: A DFT foresight
CFD-based simulation to reduce greenhouse gas emissions from industrial plants
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