| Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases M Barbatti, AJA Aquino, JJ Szymczak, D Nachtigallová, P Hobza, ... Proceedings of the National Academy of Sciences 107 (50), 21453-21458, 2010 | 484 | 2010 |
| Multireference approaches for excited states of molecules H Lischka, D Nachtigallova, AJA Aquino, PG Szalay, F Plasser, ... Chemical reviews 118 (15), 7293-7361, 2018 | 412 | 2018 |
| The UV absorption of nucleobases: semi-classical ab initio spectra simulations M Barbatti, AJA Aquino, H Lischka Physical Chemistry Chemical Physics 12 (19), 4959-4967, 2010 | 272 | 2010 |
| Solvent effects on hydrogen bonds a theoretical study AJA Aquino, D Tunega, G Haberhauer, MH Gerzabek, H Lischka The Journal of Physical Chemistry A 106 (9), 1862-1871, 2002 | 220 | 2002 |
| Excited-state intramolecular proton transfer: a survey of TDDFT and RI-CC2 excited-state potential energy surfaces AJA Aquino, H Lischka, C Hättig The Journal of Physical Chemistry A 109 (14), 3201-3208, 2005 | 204 | 2005 |
| Ultrafast internal conversion pathway and mechanism in 2-(2′-hydroxyphenyl) benzothiazole: a case study for excited-state intramolecular proton transfer systems M Barbatti, AJA Aquino, H Lischka, C Schriever, S Lochbrunner, E Riedle Physical Chemistry Chemical Physics 11 (9), 1406-1415, 2009 | 203 | 2009 |
| Theoretical study of vibrational and optical spectra of methylene-bridged oligofluorenes V Lukeš, A Aquino, H Lischka The Journal of Physical Chemistry A 109 (45), 10232-10238, 2005 | 152 | 2005 |
| Excited-state diproton transfer in [2, 2′-bipyridyl]-3, 3′-diol: The mechanism is sequential, not concerted F Plasser, M Barbatti, AJA Aquino, H Lischka The Journal of Physical Chemistry A 113 (30), 8490-8499, 2009 | 130 | 2009 |
| The interplay of skeletal deformations and ultrafast excited-state intramolecular proton transfer: Experimental and theoretical investigation of 10-hydroxybenzo [h] quinoline C Schriever, M Barbatti, K Stock, AJA Aquino, D Tunega, S Lochbrunner, ... Chemical Physics 347 (1-3), 446-461, 2008 | 123 | 2008 |
| The nonadiabatic deactivation paths of pyrrole M Barbatti, M Vazdar, AJA Aquino, M Eckert-Maksić, H Lischka The Journal of chemical physics 125 (16), 2006 | 122 | 2006 |
| Isomeric separation of permethylated glycans by porous graphitic carbon (PGC)-LC-MS/MS at high temperatures S Zhou, Y Huang, X Dong, W Peng, L Veillon, DAS Kitagawa, AJA Aquino, ... Analytical chemistry 89 (12), 6590-6597, 2017 | 116 | 2017 |
| Progress and challenges in understanding of photoluminescence properties of carbon dots based on theoretical computations M Langer, M Paloncýová, M Medveď, M Pykal, D Nachtigallová, B Shi, ... Applied Materials Today 22, 100924, 2021 | 112 | 2021 |
| Nonadiabatic dynamics of uracil: Population split among different decay mechanisms D Nachtigallová, AJA Aquino, JJ Szymczak, M Barbatti, P Hobza, ... The Journal of Physical Chemistry A 115 (21), 5247-5255, 2011 | 112 | 2011 |
| Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation M Barbatti, AJA Aquino, JJ Szymczak, D Nachtigallova, H Lischka Physical Chemistry Chemical Physics 13 (13), 6145-6155, 2011 | 101 | 2011 |
| Electronically excited states and photodynamics: a continuing challenge F Plasser, M Barbatti, AJA Aquino, H Lischka Theoretical Chemistry Accounts 131, 1-14, 2012 | 95 | 2012 |
| Pathways, pathway tubes, pathway docking, and propagators in electron transfer proteins WB Curry, MD Grabe, IV Kurnikov, SS Skourtis, DN Beratan, JJ Regan, ... Journal of bioenergetics and biomembranes 27, 285-293, 1995 | 95 | 1995 |
| Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance M Barbatti, M Ruckenbauer, JJ Szymczak, AJA Aquino, H Lischka Physical Chemistry Chemical Physics 10 (4), 482-494, 2008 | 94 | 2008 |
| The decay mechanism of photoexcited guanine− A nonadiabatic dynamics study M Barbatti, JJ Szymczak, AJA Aquino, D Nachtigallová, H Lischka The Journal of chemical physics 134 (1), 2011 | 92 | 2011 |
| The charge‐transfer states in a stacked nucleobase dimer complex: A benchmark study AJA Aquino, D Nachtigallova, P Hobza, DG Truhlar, C Hättig, H Lischka Journal of computational chemistry 32 (7), 1217-1227, 2011 | 86 | 2011 |
| The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl) benzothiazole: a TDDFT molecular dynamics study N Kungwan, F Plasser, AJA Aquino, M Barbatti, P Wolschann, H Lischka Physical Chemistry Chemical Physics 14 (25), 9016-9025, 2012 | 85 | 2012 |
