Aniline and chlorobenzene interaction studies on θ-arsenene nanosheet - a first-principles study
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Title
Aniline and chlorobenzene interaction studies on θ-arsenene nanosheet - a first-principles study
Authors
Keywords
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Journal
INORGANIC CHEMISTRY COMMUNICATIONS
Volume 146, Issue -, Pages 110081
Publisher
Elsevier BV
Online
2022-10-13
DOI
10.1016/j.inoche.2022.110081
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- (2022) V. Nagarajan et al. CHEMICAL PHYSICS
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- Cyclohexane and n-hexane adsorption studies on novel hex-star antimonene nanosheets – A first-principles outlook
- (2022) V. Nagarajan et al. INORGANIC CHEMISTRY COMMUNICATIONS
- Interaction studies of nitrotoluene and toluidine molecules on novel square-octagon arsenene nanotubes based on DFT method
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- (2021) R. Bhuvaneswari et al. CHEMICAL PHYSICS LETTERS
- Twisted bilayer arsenene sheets as a chemical sensor for toluene and M-xylene vapours – A DFT investigation
- (2021) V. Nagarajan et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Adsorption mechanism of p- aminophenol over silver-graphene composite: A first principles study
- (2021) Tabish Jadoon et al. JOURNAL OF MOLECULAR LIQUIDS
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- (2020) J M Vergara et al. Materials Research Express
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- (2019) F. Ersan et al. Applied Physics Reviews
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- Adsorption of aniline on silver mirror studied by surface-enhanced Raman scattering spectroscopy and density functional theory calculations
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- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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- Aqueous Adsorption of Aniline, Phenol, and their Substitutes by Multi-Walled Carbon Nanotubes
- (2008) Kun Yang et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
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