| Performance of molecular mechanics force fields for RNA simulations: stability of UUCG and GNRA hairpins P Banás, D Hollas, M Zgarbová, P Jurecka, M Orozco, TE Cheatham III, ... Journal of Chemical Theory and Computation 6 (12), 3836-3849, 2010 | 392 | 2010 |
| Extensive Molecular Dynamics Simulations Showing That Canonical G8 and Protonated A38H+ Forms Are Most Consistent with Crystal Structures of Hairpin … V Mlýnský, P Banáš, D Hollas, K Réblová, NG Walter, J Šponer, ... The journal of physical chemistry B 114 (19), 6642-6652, 2010 | 96 | 2010 |
| Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations O Svoboda, D Hollas, M Ončák, P Slavíček Physical Chemistry Chemical Physics 15 (27), 11531-11542, 2013 | 69 | 2013 |
| Nonadiabatic ab initio molecular dynamics with the floating occupation molecular orbital-complete active space configuration interaction method D Hollas, L Sistik, EG Hohenstein, TJ Martínez, P Slavicek Journal of chemical theory and computation 14 (1), 339-350, 2018 | 63 | 2018 |
| Competition between proton transfer and intermolecular Coulombic decay in water C Richter, D Hollas, CM Saak, M Förstel, T Miteva, M Mucke, ... Nature Communications 9 (1), 4988, 2018 | 53 | 2018 |
| On the importance of initial conditions for excited-state dynamics J Suchan, D Hollas, BFE Curchod, P Slavíček Faraday discussions 212, 307-330, 2018 | 52 | 2018 |
| Two tryptophans are better than one in accelerating electron flow through a protein K Takematsu, HR Williamson, P Nikolovski, JT Kaiser, Y Sheng, ... ACS central science 5 (1), 192-200, 2019 | 46 | 2019 |
| UV absorption of Criegee intermediates: quantitative cross sections from high-level ab initio theory Š Sršeň, D Hollas, P Slavíček Physical Chemistry Chemical Physics 20 (9), 6421-6430, 2018 | 35 | 2018 |
| Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB T Tran, A Prlj, KH Lin, D Hollas, C Corminboeuf Physical Chemistry Chemical Physics 21 (18), 9026-9035, 2019 | 32 | 2019 |
| Control of X-ray induced electron and nuclear dynamics in ammonia and glycine aqueous solution via hydrogen bonding I Unger, D Hollas, R Seidel, S Thürmer, EF Aziz, P Slavicek, B Winter The Journal of Physical Chemistry B 119 (33), 10750-10759, 2015 | 31 | 2015 |
| Modeling liquid photoemission spectra: Path-integral molecular dynamics combined with tuned range-separated hybrid functionals D Hollas, E Muchova, P Slavicek Journal of chemical theory and computation 12 (10), 5009-5017, 2016 | 30 | 2016 |
| On the performance of optimally tuned range-separated hybrid functionals for x-ray absorption modeling P Cabral do Couto, D Hollas, P Slavicek Journal of chemical theory and computation 11 (7), 3234-3244, 2015 | 29 | 2015 |
| Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds A Prlj, E Marsili, L Hutton, D Hollas, D Shchepanovska, DR Glowacki, ... ACS Earth and Space Chemistry 6 (1), 207-217, 2021 | 26 | 2021 |
| Clustering and Photochemistry of Freon CF2Cl2 on Argon and Ice Nanoparticles V Poterya, J Kočišek, J Lengyel, P Svrčková, A Pysanenko, D Hollas, ... The Journal of Physical Chemistry A 118 (26), 4740-4749, 2014 | 24 | 2014 |
| Aqueous solution chemistry of ammonium cation in the auger time window D Hollas, MN Pohl, R Seidel, EF Aziz, P Slavíček, B Winter Scientific Reports 7 (1), 756, 2017 | 19 | 2017 |
| Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry R Fabregat, A Fabrizio, B Meyer, D Hollas, C Corminboeuf Journal of chemical theory and computation 16 (5), 3084-3094, 2020 | 18 | 2020 |
| ABIN: Ab initio Molecular Dynamics program D Hollas, O Svoboda, M Ončák, P Slavíček https://github.com/PHOTOX/ABIN, 0 | 18* | |
| Fragmentation of HCl–water clusters upon ionization: Non-adiabatic ab initio dynamics study D Hollas, O Svoboda, P Slavíček Chemical Physics Letters 622, 80-85, 2015 | 17 | 2015 |
| Kvantová chemie: První čtení P Slavíček, E Muchová, D Hollas, V Svoboda, O Svoboda Vysoká škola chemicko-technologická v Praze, 2019 | 15* | 2019 |
| Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats K Drużbicki, M Krzystyniak, D Hollas, V Kapil, P Slavíček, G Romanelli, ... Journal of physics: conference series 1055, 012003, 2018 | 14 | 2018 |
Petr SlavíčekProfessor of Physical Chemistry, University of Chemistry and Technology, Prague在 vscht.cz 的电子邮件经过验证
