Kinetic Control in the Alignment of Polar π-Conjugated Molecules inside Carbon Nanotubes
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b05455
Abstract: Dispersion-corrected density functional theory (DFT) calculations analyze potential energy surfaces (PESs) for the insertion of a certain polarized π-conjugated molecule, p-(dimethylamino)-p′-nitro... read more here.
Keywords: polar conjugated; alignment polar; control alignment; kinetic control ... See more keywords
Photofragmentation of I2 molecules inside helium clusters: model calculations using a quantum effective potential
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Physics"
DOI: 10.1080/00268976.2021.1977862
Abstract: We report the results of model calculations for the photodissociation of iodine molecules inside liquid helium clusters composed of several thousand atoms. The helium clusters are described by a quantum effective potential between helium atoms.… read more here.
Keywords: helium clusters; molecules inside; effective potential; model calculations ... See more keywords