| Graphitic nitrogen triggers red fluorescence in carbon dots K Hola, M Sudolská, S Kalytchuk, D Nachtigallová, AL Rogach, ... ACS nano 11 (12), 12402-12410, 2017 | 687 | 2017 |
| 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 | 474 | 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 | 393 | 2018 |
| Coordination and siting of Cu+ ions in ZSM-5: A combined quantum mechanics/interatomic potential function study D Nachtigallová, P Nachtigall, M Sierka, J Sauer Physical Chemistry Chemical Physics 1 (8), 2019-2026, 1999 | 260 | 1999 |
| Excited state dynamics of DNA bases K Kleinermanns, D Nachtigallová, MS de Vries International Reviews in Physical Chemistry 32 (2), 308-342, 2013 | 234 | 2013 |
| Coordination of Cu+ and Cu 2+ ions in ZSM-5 in the vicinity of two framework Al atoms D Nachtigallová, P Nachtigall, J Sauer Physical Chemistry Chemical Physics 3 (8), 1552-1559, 2001 | 113 | 2001 |
| 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 | 111 | 2011 |
| Thermodynamics of reversible gas adsorption on alkali-metal exchanged zeolites—the interplay of infrared spectroscopy and theoretical calculations CO Areán, D Nachtigallova, P Nachtigall, E Garrone, MR Delgado Physical Chemistry Chemical Physics 9 (12), 1421-1437, 2007 | 109 | 2007 |
| Photodynamics simulations of thymine: Relaxation into the first excited singlet state JJ Szymczak, M Barbatti, JT Soo Hoo, JA Adkins, TL Windus, ... The Journal of Physical Chemistry A 113 (45), 12686-12693, 2009 | 106 | 2009 |
| 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 | 105 | 2021 |
| Coordination Change of Cu+ Sites in ZSM-5 on Excitation in the Triplet State: Understanding of the Photoluminescence Spectra P Nachtigall, D Nachtigallová, J Sauer The Journal of Physical Chemistry B 104 (8), 1738-1745, 2000 | 102 | 2000 |
| The nature of cationic adsorption sites in alkaline zeolites—single, dual and multiple cation sites P Nachtigall, MR Delgado, D Nachtigallova, CO Areán Physical Chemistry Chemical Physics 14 (5), 1552-1569, 2012 | 101 | 2012 |
| 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 | 100 | 2011 |
| Nature of the Cu+−NO Bond in the Gas Phase and at Different Types of Cu+ Sites in Zeolite Catalysts M Davidová, D Nachtigallová, P Nachtigall, J Sauer The Journal of Physical Chemistry B 108 (36), 13674-13682, 2004 | 96 | 2004 |
| 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 | 90 | 2011 |
| Single and dual cation sites in zeolites: theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER E Garrone, R Bulanek, K Frolich, C Otero Areán, M Rodriguez Delgado, ... The Journal of Physical Chemistry B 110 (45), 22542-22550, 2006 | 90 | 2006 |
| Non-covalent control of spin-state in metal-organic complex by positioning on N-doped graphene B de la Torre, M Švec, P Hapala, J Redondo, O Krejčí, R Lo, D Manna, ... Nature communications 9 (1), 2831, 2018 | 88 | 2018 |
| The vibrational dynamics of carbon monoxide in a confined space—CO in zeolites D Nachtigallová, O Bludský, CO Areán, R Bulánek, P Nachtigall Physical Chemistry Chemical Physics 8 (42), 4849-4852, 2006 | 85 | 2006 |
| Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite P Nachtigall, O Bludský, L Grajciar, D Nachtigallova, MR Delgado, ... Physical Chemistry Chemical Physics 11 (5), 791-802, 2009 | 84 | 2009 |
| 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 | 82 | 2011 |
