| The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems M Barbatti, G Granucci, M Persico, M Ruckenbauer, M Vazdar, ... Journal of Photochemistry and Photobiology A: Chemistry 190 (2-3), 228-240, 2007 | 512 | 2007 |
| Arginine “magic”: Guanidinium like-charge ion pairing from aqueous salts to cell penetrating peptides M Vazdar, J Heyda, PE Mason, G Tesei, C Allolio, M Lund, P Jungwirth Accounts of chemical research 51 (6), 1455-1464, 2018 | 145 | 2018 |
| 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 | 119 | 2006 |
| Automerization reaction of cyclobutadiene and its barrier height: An ab initio benchmark multireference average-quadratic coupled cluster study M Eckert-Maksić, M Vazdar, M Barbatti, H Lischka, ZB Maksić The Journal of chemical physics 125 (6), 2006 | 116 | 2006 |
| Ions at hydrophobic aqueous interfaces: Molecular dynamics with effective polarization M Vazdar, E Pluharova, PE Mason, R Vácha, P Jungwirth The Journal of Physical Chemistry Letters 3 (15), 2087-2091, 2012 | 104 | 2012 |
| Polyarginine interacts more strongly and cooperatively than polylysine with phospholipid bilayers AD Robison, S Sun, MF Poyton, GA Johnson, JP Pellois, P Jungwirth, ... The Journal of Physical Chemistry B 120 (35), 9287-9296, 2016 | 92 | 2016 |
| Cholesterol under oxidative stress—How lipid membranes sense oxidation as cholesterol is being replaced by oxysterols W Kulig, A Olżyńska, P Jurkiewicz, AM Kantola, S Komulainen, M Manna, ... Free radical biology and medicine 84, 30-41, 2015 | 86 | 2015 |
| A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapour interface L Artiglia, J Edebeli, F Orlando, S Chen, MT Lee, P Corral Arroyo, ... Nature Communications 8 (1), 700, 2017 | 76 | 2017 |
| Excited-state non-adiabatic dynamics simulations of pyrrole M Vazdar, M Eckert-Maksić, M Barbatti, H Lischka Molecular Physics 107 (8-12), 845-854, 2009 | 75 | 2009 |
| Mechanism of long-chain free fatty acid protonation at the membrane-water interface AA Pashkovskaya, M Vazdar, L Zimmermann, O Jovanovic, P Pohl, ... Biophysical Journal 114 (9), 2142-2151, 2018 | 72 | 2018 |
| Overcharging in biological systems: reversal of electrophoretic mobility of aqueous polyaspartate by multivalent cations A Kubíčková, T Křížek, P Coufal, M Vazdar, E Wernersson, J Heyda, ... Physical review letters 108 (18), 186101, 2012 | 71 | 2012 |
| Like-charge ion pairing in water: An ab initio molecular dynamics study of aqueous guanidinium cations M Vazdar, F Uhlig, P Jungwirth The Journal of Physical Chemistry Letters 3 (15), 2021-2024, 2012 | 69 | 2012 |
| Self-association of a highly charged arginine-rich cell-penetrating peptide G Tesei, M Vazdar, MR Jensen, C Cragnell, PE Mason, J Heyda, M Skepö, ... Proceedings of the National Academy of Sciences 114 (43), 11428-11433, 2017 | 66 | 2017 |
| Like-charge guanidinium pairing from molecular dynamics and ab initio calculations M Vazdar, J Vymetal, J Heyda, J Vondrasek, P Jungwirth The Journal of Physical Chemistry A 115 (41), 11193-11201, 2011 | 64 | 2011 |
| Electrodeposition of nano-sized nuclei of magnetic Co–Ni alloys onto n-Si (1 0 0) CA Moina, M Vazdar Electrochemistry communications 3 (4), 159-163, 2001 | 56 | 2001 |
| Absorption and fluorescence of PRODAN in phospholipid bilayers: A combined quantum mechanics and classical molecular dynamics study L Cwiklik, AJA Aquino, M Vazdar, P Jurkiewicz, J Pittner, M Hof, H Lischka The Journal of Physical Chemistry A 115 (41), 11428-11437, 2011 | 51 | 2011 |
| Orientational dependence of the affinity of guanidinium ions to the water surface E Wernersson, J Heyda, M Vazdar, M Lund, PE Mason, P Jungwirth The Journal of Physical Chemistry B 115 (43), 12521-12526, 2011 | 50 | 2011 |
| Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole S Faraji, M Vazdar, VS Reddy, M Eckert-Maksic, H Lischka, H Köppel The Journal of chemical physics 135 (15), 2011 | 41 | 2011 |
| Aqueous guanidinium–carbonate interactions by molecular dynamics and neutron scattering: relevance to ion–protein interactions M Vazdar, P Jungwirth, PE Mason The Journal of Physical Chemistry B 117 (6), 1844-1848, 2013 | 40 | 2013 |
| The molecular mechanism behind reactive aldehyde action on transmembrane translocations of proton and potassium ions O Jovanovic, AA Pashkovskaya, A Annibal, M Vazdar, N Burchardt, ... Free Radical Biology and Medicine 89, 1067-1076, 2015 | 38 | 2015 |
Hans LischkaProfessor of Chemistry, Texas Tech UniversityVerified email at ttu.edu
