Atomistic potential development for the permeation of small molecules and cations through carbon nanostructures
Applications of graphynes in sieving, separation & adsorption
Modeling of cation-π interactions on graphynes
Theoretical studies of plasmonic properties of metal nanostructures
Modeling of anion-π interactions on graphynes
Application of stochastic optimization techniques in computing molecular cluster geometries
Determining molecular cluster geometries through swarm-based methodologies
Modeling of cation-π interactions of alkali metal ions and graphynes
Modeling of π-π interactions in circulene dimers
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