Time-dependent density functional theory study on direction-dependent electron and hole transfer processes in molecular systems

von Partovi-Azar, Pouya
Veröffentlicht in: Journal of computational chemistry (2017)

Efficient "on-the-fly" calculation of Raman spectra from ab-initio molecular dynamics Application to hydrophobic/hydrophilic solutes in bulk water

von Partovi-Azar, Pouya
Veröffentlicht in: Journal of computational chemistry (2015)