The study explores the linear-to-circular polarization conversion of transmission and reflection in the terahertz region by designing the chemical scaffold of perylene molecule. The axial ratio is ...

The analytic gradient is derived for the frozen domain formulation of the fragment molecular orbital (FMO) method combined with the polarizable continuum model. The accuracy is tested in comparison to ...

This study investigates the effectiveness of Virtual Reality (VR) as a teaching tool for molecular geometry in engineering education, comparing it with traditional methods and physical 3D models.

Abstract A stable trigonal bipyramidal copper (III) complex, [PPN] [Cu (TMS PS3)Cl] (1, wherein PPN represents bis (triphenylphosphine)iminium), was synthesized from CuCl 2 /PPNCl via intramolecular ...