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Barbatti, Mario, Pittner, Jiří, Pederzoli, Marek, Werner, Ute, Mitrić, Roland, Bonačić-Koutecký, Vlasta, Lischka, Hans (2010) Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy. Chemical Physics, 375. 26-34 doi:10.1016/j.chemphys.2010.07.014

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Reference TypeJournal (article/letter/editorial)
TitleNon-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy
JournalChemical Physics
AuthorsBarbatti, MarioAuthor
Pittner, JiříAuthor
Pederzoli, MarekAuthor
Werner, UteAuthor
Mitrić, RolandAuthor
Bonačić-Koutecký, VlastaAuthor
Lischka, HansAuthor
Year2010 (September)Volume375
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2010.07.014Search in ResearchGate
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Mindat Ref. ID5962396Long-form Identifiermindat:1:5:5962396:4
GUID0
Full ReferenceBarbatti, Mario, Pittner, Jiří, Pederzoli, Marek, Werner, Ute, Mitrić, Roland, Bonačić-Koutecký, Vlasta, Lischka, Hans (2010) Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy. Chemical Physics, 375. 26-34 doi:10.1016/j.chemphys.2010.07.014
Plain TextBarbatti, Mario, Pittner, Jiří, Pederzoli, Marek, Werner, Ute, Mitrić, Roland, Bonačić-Koutecký, Vlasta, Lischka, Hans (2010) Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy. Chemical Physics, 375. 26-34 doi:10.1016/j.chemphys.2010.07.014
In(n.d.) Chemical Physics Vol. 375. Elsevier BV

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Mitrić, Roland, Bonačić-Koutecký, Vlasta, Pittner, Jiří, Lischka, Hans (2006) Ab initio nonadiabatic dynamics study of ultrafast radiationless decay over conical intersections illustrated on the Na3F cluster. The Journal of Chemical Physics, 125 (2). 24303pp. doi:10.1063/1.2209233
Zechmann, Gunther, Barbatti, Mario, Lischka, Hans, Pittner, Jiří, Bonačić-Koutecký, Vlasta (2006) Multiple pathways in the photodynamics of a polar π-bond: A case study of silaethylene. Chemical Physics Letters, 418. 377-382 doi:10.1016/j.cplett.2005.11.015
Werner, Ute, Mitrić, Roland, Suzuki, Toshinori, Bonačić-Koutecký, Vlasta (2008) Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine. Chemical Physics, 349. 319-324 doi:10.1016/j.chemphys.2008.02.061
Pederzoli, Marek, Pittner, Jiří, Barbatti, Mario, Lischka, Hans (2011) Nonadiabatic Molecular Dynamics Study of thecis–transPhotoisomerization of Azobenzene Excited to theS1State. The Journal of Physical Chemistry A, 115 (41). 11136-11143 doi:10.1021/jp2013094
Fuji, Takao, Suzuki, Yoshi-Ichi, Horio, Takuya, Suzuki, Toshinori, Mitrić, Roland, Werner, Ute, Bonačić-Koutecký, Vlasta (2010) Ultrafast photodynamics of furan. The Journal of Chemical Physics, 133 (23). 234303pp. doi:10.1063/1.3518441
Werner, Ute, Mitrić, Roland, Bonačić-Koutecký, Vlasta (2010) Simulation of time resolved photoelectron spectra with Stieltjes imaging illustrated on ultrafast internal conversion in pyrazine. The Journal of Chemical Physics, 132 (17). 174301pp. doi:10.1063/1.3395160
Petersen, Jens, Wohlgemuth, Matthias, Sellner, Bernhard, Bonačić-Koutecký, Vlasta, Lischka, Hans, Mitrić, Roland (2012) Laser pulse trains for controlling excited state dynamics of adenine in water. Physical Chemistry Chemical Physics, 14 (14). 4687pp. doi:10.1039/c2cp24002e
Mitrić, Roland, Petersen, Jens, Wohlgemuth, Matthias, Werner, Ute, Bonačić-Koutecký, Vlasta (2011) Field-induced surface hopping method for probing transition state nonadiabatic dynamics of Ag3. Physical Chemistry Chemical Physics, 13 (19). 8690pp. doi:10.1039/c0cp02935a
Bonačić-Koutecký, Vlasta, Mitrić, Roland, Bürgel, Christian, Nößler, Melanie (2008) Ultrafast dynamics in noble metal clusters: The role of internal vibrational redistribution. Chemical Physics, 350. 111-117 doi:10.1016/j.chemphys.2008.01.009
Mitrić, Roland, Werner, Ute, Bonačić-Koutecký, Vlasta (2008) Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline. The Journal of Chemical Physics, 129 (16). 164118pp. doi:10.1063/1.3000012
Vazdar, Mario, Eckert-Maksić, Mirjana, Barbatti, Mario, Lischka, Hans (2009) Excited-state non-adiabatic dynamics simulations of pyrrole. Molecular Physics, 107. 845-854 doi:10.1080/00268970802665639
 
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