A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone
Miao, Xincheng; Diemer, Kira; Mitric, Roland;
J. Chem. Phys. 160, 124309, 2024.
HORTENSIA, a program package for the simulation of nonadiabatic auto ionization dynamics in molecules
Issler, Kevin; Mitric, Roland; Petersen, Jens
J. Chem. Phys., 159 , pp. 134801, 2023.
Ultrafast Ring Closure Reaction of Gaseous cis-Stilbene from S1 (ππ*)
Karashima, Shutaro; Miao, Xincheng; Kanayama, Akio; Yamamoto, Yo-ichi; Nishitani, Junichi; Kavka, Nikita; Mitric, Roland; Suzuki, Toshinori
J. Am. Chem. Soc., 145 , pp. 3283–3288, 2023.
Chiroptical Properties of Planar Benzobisthiazole-Bridged Squaraine Dimers
Emely Freytag, Lasse Kreimendahl, Marco Holzapfel, Jens Petersen, Heiko Lackinger, Matthias Stolte, Frank Würthner, Roland Mitrić, Christoph Lambert
J. Org. Chem., 88 , pp. 10777-10788, 2023.
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