Publications

Kungwan, N.; Daengngern, R.; Piansawan, T.; Hannongbua, S.; Barbatti, M. Theoretical Study on Excited-State Intermolecular Proton Transfer Reactions of 1H-Pyrrolo[3,2-h]Quinoline with Water and Methanol. Theoretical Chemistry Accounts 2013, 132, UNSP 1397.

Sellner, B.; Barbatti, M.; Müller, T.; Domcke, W.; Lischka, H. Ultrafast non-Adiabatic Dynamics of Ethylene Including Rydberg States. Molecular Physics 2013, 111, 2439–2450.

Boulanger, E.; Anoop, A.; Nachtigallova, D.; Thiel, W.; Barbatti, M. Photochemical Steps in the Prebiotic Synthesis of Purine Precursors from HCN. Angewandte Chemie: eine Zeitschrift der Gesellschaft Deutscher Chemiker 2013, 125, 8158–8161.

Boulanger, E.; Anoop, A.; Nachtigallova, D.; Thiel, W.; Barbatti, M. Photochemical Steps in the Prebiotic Synthesis of Purine Precursors from HCN. Angewandte Chemie International Edition: a journal of the Gesellschaft Deutscher Chemiker 2013, 52, 8000–8003.

Daengngern, R.; Kerdpol, K.; Kungwan, N.; Hannongbua, S.; Barbatti, M. Dynamics Simulations of Excited-State Triple Proton Transfer in 7-Azaindole Complexes with Water, Water–Methanol and Methanol. Journal of Photochemistry and Photobiology A: Chemistry 2013, 266, 28–36.

Ruckenbauer, M.; Barbatti, M.; Müller, T.; Lischka, H. Nonadiabatic Photodynamics of a Retinal Model in Polar and Nonpolar Environment. The Journal of Physical Chemistry A 2013, 117, 2790–2799.

Crespo-Otero, R.; Mardyukov, A.; Sánchez-García, E.; Barbatti, M.; Sander, W. Photochemistry of N-Methylformamide: Matrix Isolation and Nonadiabatic Dynamics. ChemPhysChem 2013, 14, 827–836.

Sen, K.; Crespo-Otero, R.; Weingart, O.; Thiel, W.; Barbatti, M. Interfacial States in Donor–Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene Junctions. Journal of Chemical Theory and Computation 2013, 9, 533–542.

Asturiol, D.; Barbatti, M. Electronic States of Porphycene-O₂ Complex and Photoinduced Singlet O₂ Production. The Journal of Chemical Physics 2013, 139, 074307–074301-074307–074307.