Daniel Hollas

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Petr SlavíčekProfessor of Physical Chemistry, University of Chemistry and Technology, PragueDirección de correo verificada de vscht.cz
Basile F. E. CurchodSchool of Chemistry, University of BristolDirección de correo verificada de bristol.ac.uk
Michal OtyepkaCATRIN, Palacký University; IT4Innovations, VŠB Technical University of OstravaDirección de correo verificada de upol.cz
Bernd WinterFritz-Haber-Institut der Max-Planck-GesellschaftDirección de correo verificada de fhi-berlin.mpg.de
Antonio PrljRuđer Bošković InstituteDirección de correo verificada de irb.hr
Robert SeidelHelmholtz-Zentrum BerlinDirección de correo verificada de helmholtz-berlin.de
Stephan ThürmerKyoto UniversityDirección de correo verificada de kuchem.kyoto-u.ac.jp
Isaak UngerUppsala UniversityDirección de correo verificada de physics.uu.se
Vojtech MlynskyInstitute of Biophysics of the Czech Academy of Sciences, Brno, Czech RepublicDirección de correo verificada de ibp.cz
Edward G. HohensteinQC Ware CorporationDirección de correo verificada de qcware.com
Todd J MartinezStanford UniversityDirección de correo verificada de stanford.edu
Clara-Magdalena SaakUniversity of ViennaDirección de correo verificada de univie.ac.at
Uwe HergenhahnFritz-Haber-Institut der Max-Planck-Gesellschaft, Dept. MPDirección de correo verificada de arcor.de
Olle BjörneholmDept. of Physics and Astronomy, Uppsala University, SwedenDirección de correo verificada de fysik.uu.se
Jiri SuchanStony Brook UniversityDirección de correo verificada de stonybrook.edu
Jan HeydaUniversity of Chemistry and Technology, PragueDirección de correo verificada de vscht.cz
Kun-Han LinAssistant Professor at National Tsing Hua UniversityDirección de correo verificada de mx.nthu.edu.tw
Tran ThierryPhD student in Chemistry, University College LondonDirección de correo verificada de ucl.ac.uk
Jaroslav KočišekJ. Heyrovský Institute of Physical ChemistryDirección de correo verificada de jh-inst.cas.cz
Darya ShchepanovskaUniversity of BristolDirección de correo verificada de bristol.ac.uk

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Daniel Hollas

Post-doctoral Research Associate, Bristol University

Dirección de correo verificada de bristol.ac.uk - Página principal

ab initio molecular dynamics non-adiabatic dynamics excited states nuclear quantum effects


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
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	382	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	67	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	59	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	48	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	47	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
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
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
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	30	2015
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	29	2018
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
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
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	22	2021
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	17	2020
ABIN: Ab initio Molecular Dynamics program D Hollas, O Svoboda, M Ončák, P Slavíček https://github.com/PHOTOX/ABIN, 0	17*
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	16	2017
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	16	2015
Ultrafast proton and electron dynamics in core-ionized hydrated hydrogen peroxide: photoemission measurements with isotopically substituted hydrogen peroxide I Unger, S Thürmer, D Hollas, EF Aziz, B Winter, P Slavíček The Journal of Physical Chemistry C 118 (50), 29142-29150, 2014	14	2014
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	13	2018

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