Blar i Institutt for kjemi på tidsskrift "The Journal of Physical Chemistry Letters"
Viser treff 1-2 av 2
-
Analytical Model for the Molecular Ionization Energy in an External Electric Field
(Peer reviewed; Journal article, 2024)A model for the molecular ionization energy in an applied electric field is presented on the basis of a perturbation expansion in the electric field. The leading term arises from the Frenkel approach, which is the same for ... -
Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes
(Journal article; Peer reviewed, 2019)We demonstrate the pivotal role of quantum mechanics density confinement effects on solvatochromic shifts. In particular, by resorting to a quantum mechanics/molecular mechanics (QM/MM) approach capable of accounting for ...