| The IPEA dilemma in CASPT2 JP Zobel, JJ Nogueira, L González Chemical science 8 (2), 1482-1499, 2017 | 170 | 2017 |
| Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction … JJ Nogueira, F Plasser, L González Chemical science 8 (8), 5682-5691, 2017 | 81 | 2017 |
| Cyclobutane thymine photodimerization mechanism revealed by nonadiabatic molecular dynamics C Rauer, JJ Nogueira, P Marquetand, L González Journal of the American Chemical Society 138 (49), 15911-15916, 2016 | 56 | 2016 |
| Dynamics of CO2 Scattering off a Perfluorinated Self-Assembled Monolayer. Influence of the Incident Collision Energy, Mass Effects, and Use of Different Surface … JJ Nogueira, SA Vázquez, OA Mazyar, WL Hase, BG Perkins Jr, ... The Journal of Physical Chemistry A 113 (16), 3850-3865, 2009 | 49 | 2009 |
| Enhancing intersystem crossing in phenotiazinium dyes by intercalation into DNA JJ Nogueira, M Oppel, L González Angewandte Chemie International Edition 54 (14), 4375-4378, 2015 | 47 | 2015 |
| Computational Photophysics in the Presence of an Environment JJ Nogueira, L González Annual Review of Physical Chemistry 69, 473-497, 2018 | 44 | 2018 |
| Molecular dynamics simulations of binding modes between methylene blue and DNA with alternating GC and AT sequences JJ Nogueira, L González Biochemistry 53 (14), 2391-2412, 2014 | 40 | 2014 |
| Mechanism of Ultrafast Intersystem Crossing in 2‐Nitronaphthalene JP Zobel, JJ Nogueira, L González Chemistry–A European Journal 24 (20), 5379-5387, 2018 | 39 | 2018 |
| Sequential proton-coupled electron transfer mediates excited-state deactivation of a eumelanin building block JJ Nogueira, A Corani, A El Nahhas, A Pezzella, M d’Ischia, L González, ... The Journal of Physical Chemistry Letters 8 (5), 1004-1008, 2017 | 26 | 2017 |
| Quenching of charge transfer in nitrobenzene induced by vibrational motion JP Zobel, JJ Nogueira, L González The Journal of Physical Chemistry Letters 6 (15), 3006-3011, 2015 | 25 | 2015 |
| Finite-temperature Wigner phase-space sampling and temperature effects on the excited-state dynamics of 2-nitronaphthalene JP Zobel, JJ Nogueira, L González Physical Chemistry Chemical Physics 21 (26), 13906-13915, 2019 | 24 | 2019 |
| Challenges in simulating light-induced processes in DNA P Marquetand, JJ Nogueira, S Mai, F Plasser, L González Molecules 22 (1), 49, 2016 | 22 | 2016 |
| Direct determination of metal complexes’ interaction with DNA by atomic telemetry and multiscale molecular dynamics J Czapla-Masztafiak, JJ Nogueira, E Lipiec, WM Kwiatek, BR Wood, ... The Journal of Physical Chemistry Letters 8 (4), 805-811, 2017 | 19 | 2017 |
| Vibrational sampling and solvent effects on the electronic structure of the absorption spectrum of 2-nitronaphthalene JP Zobel, M Heindl, JJ Nogueira, L González Journal of Chemical Theory and Computation 14 (6), 3205-3217, 2018 | 18 | 2018 |
| Solvent effects on electronically excited states: QM/continuum versus QM/explicit models M De Vetta, MFSJ Menger, JJ Nogueira, L González The Journal of Physical Chemistry B 122 (11), 2975-2984, 2018 | 18 | 2018 |
| Chemical Dynamics Simulations of CO2 in the Ground and First Excited Bend States Colliding with a Perfluorinated Self-Assembled Monolayer JJ Nogueira, SA Vazquez, U Lourderaj, WL Hase, E Martinez-Nunez The Journal of Physical Chemistry C 114 (43), 18455-18464, 2010 | 16 | 2010 |
| Hydrogen bonding regulates the rigidity of liposome-encapsulated chlorin photosensitizers M De Vetta, L González, JJ Nogueira ChemistryOpen 7 (6), 475-483, 2018 | 14 | 2018 |
| Chemical dynamics study of NO scattering from a perfluorinated self-assembled monolayer JJ Nogueira, Z Homayoon, SA Vázquez, E Martínez-Núnez The Journal of Physical Chemistry C 115 (48), 23817-23830, 2011 | 14 | 2011 |
| Assessing configurational sampling in the quantum mechanics/molecular mechanics calculation of Temoporfin absorption spectrum and triplet density of states M De Vetta, O Baig, D Steen, JJ Nogueira, L González Molecules 23 (11), 2932, 2018 | 12 | 2018 |
| Effect of DNA environment on electronically excited states of methylene blue evaluated by a three-layered QM/QM/MM ONIOM scheme JJ Nogueira, S Roßbach, C Ochsenfeld, L Gonzalez Journal of Chemical Theory and Computation 14 (8), 4298-4308, 2018 | 12 | 2018 |
Leticia GonzalezUniversity of ViennaVerified email at univie.ac.at
