S
Somnath Bhowmick
Researcher at The Cyprus Institute
Publications - 14
Citations - 171
Somnath Bhowmick is an academic researcher from The Cyprus Institute. The author has contributed to research in topics: Adsorption & Density functional theory. The author has an hindex of 7, co-authored 14 publications receiving 83 citations. Previous affiliations of Somnath Bhowmick include Indian Institute of Technology Guwahati & Aix-Marseille University.
Papers
More filters
Journal ArticleDOI
Theoretical investigation of X12O12 (X = Be, Mg, and Ca) in sensing CH2N2: A DFT study
TL;DR: In this article, the feasibility of detecting diazomethane (CH2N2) in the gas phase by adsorption onto the exterior surface of inorganic-based X12O12 (where X can be Be, Mg, or Ca) nanocages is investigated using DFT.
Journal ArticleDOI
Enhancing the absorption of 1-chloro-1,2,2,2-tetrafluoroethane on carbon nanotubes: an ab initio study
TL;DR: In this article, the authors investigated the possibility of utilizing single-walled pristine and doped carbon nanotubes as adsorbents for the 1-chloro-1, 2,2,2-tetrafluoroethane (HCFC-124) gaseous molecule.
Journal ArticleDOI
Effect of Al- And Ga-doping on the adsorption of H 2 SiCl 2 onto the outer surface of boron nitride nanotube : A DFT study
TL;DR: In this article, density functional theory has been used to study the nature of the intermolecular interactions between the H2SiCl2 gas molecule with a single-walled pristine, Al-doped, and Gadoped boron nitride nanotubes to investigate their potential in gas-sensing applications.
Journal ArticleDOI
A comprehensive investigation of the intermolecular interactions between CH2N2 and X12Y12 (x= B, Al,Ga; Y =N, P, As) nanocages
TL;DR: In this article, the authors theoretically determined the possibility of adsorption of the gaseous CH2N2 molecule on the surface of X12Y12 nanocages, where X = B, Al, Ga and Y = N, P, As.
Journal ArticleDOI
The low temperature D+ + H2→ HD + H+ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study.
TL;DR: Aguado et al. as discussed by the authors analyzed the title reaction with ring polymer molecular dynamics (RPMD) and quasi-classical trajectory (QCT) methods over the full-dimensional global potential energy surface.