5 papers
Electron scattering from polar hydrides using relativistic optical potential method
Sudhanshu Arya, Bobby Antony
We extend the relativistic spherical complex optical-potential method with group additivity developed in our recent work [S. Arya and B. Antony, \textit{RSC Adv.} \textbf{16}, 1354…
Influence of DFT Functionals on Low-Energy Electron Scattering Cross Sections of Nitric Oxide
Ashutosh Yadav, Felipe Fantuzzi, Nigel J. Mason +1
Nitric oxide (NO) is important in biological, atmospheric, plasma, industrial, and astrophysical environments, where reliable electron-collision data support modelling charged-part…
Scaling Dependencies in Irradiation-Driven Molecular Dynamics Simulations: Case Study of W(CO) Fragmentation
Soumyo Kheto, Alexey Verkhovtsev, Bobby Antony +1
Irradiation-driven fragmentation and chemical transformations of organometallic molecules play a central role in nanofabrication techniques based on the use of focused charged-part…
Investigation of low-energy electron scattering from ethylene glycol
Irabati Chakraborty, Bobby Antony
Ethylene glycol is a prebiotically relevant complex organic molecule detected in interstellar and cometary environments, yet quantitative low-energy electron-ethylene glycol scatte…
Electron scattering from aminoacetonitrile: effects of polarisation-correlation and basis-set on cross section
Irabati Chakraborty, Bobby Antony
Aminoacetonitrile occupies a prime importance in the interface between astrochemistry and prebiotic chemistry. Its detection in the ISM establishes it as part of the organic invent…