BX4− and AlX4− Superhalogen Anions (X = F, Cl, Br): An ab Initio Study C Sikorska, S Smuczynska, P Skurski, I Anusiewicz Inorganic chemistry 47 (16), 7348-7354, 2008 | 103 | 2008 |
Overview of experimental and computational methods for the determination of the pKa values of 5-fluorouracil, cyclophosphamide, ifosfamide, imatinib and methotrexate K Mioduszewska, J Dołżonek, D Wyrzykowski, Ł Kubik, P Wiczling, ... TrAC Trends in Analytical Chemistry 97, 283-296, 2017 | 76 | 2017 |
The saturation of the excess electron binding energy in AlnF3n+ 1-(n= 1–5) anions C Sikorska, P Skurski Chemical Physics Letters 536, 34-38, 2012 | 69 | 2012 |
Moderately reactive molecules forming stable ionic compounds with superhalogens C Sikorska, P Skurski Inorganic Chemistry 50 (13), 6384-6391, 2011 | 52 | 2011 |
Theoretical search for alternative nine-electron ligands suitable for superhalogen anions C Sikorska, S Freza, P Skurski, I Anusiewicz The Journal of Physical Chemistry A 115 (10), 2077-2085, 2011 | 44 | 2011 |
Assessment of chemical‐crosslink‐assisted protein structure modeling in CASP13 JE Fajardo, R Shrestha, N Gil, A Belsom, SN Crivelli, C Czaplewski, ... Proteins: Structure, Function, and Bioinformatics 87 (12), 1283-1297, 2019 | 31 | 2019 |
Development of a novel in silico model of zeta potential for metal oxide nanoparticles: a nano-QSPR approach E Wyrzykowska, A Mikolajczyk, C Sikorska, T Puzyn Nanotechnology 27 (44), 445702, 2016 | 29 | 2016 |
When a nanoparticle meets a superhalogen: a case study with C 60 fullerene C Sikorska Physical Chemistry Chemical Physics 18 (28), 18739-18749, 2016 | 28 | 2016 |
The performance of selected ab initio methods in estimating electron binding energies of superhalogen anions C Sikorska, D Ignatowska, S Freza, P Skurski Journal of Theoretical and Computational Chemistry 10 (01), 93-109, 2011 | 28 | 2011 |
Helical multi-walled carbon nanotubes as an efficient material for the dispersive solid-phase extraction of low and high molecular weight polycyclic aromatic hydrocarbons from … M Paszkiewicz, C Sikorska, D Leszczyńska, P Stepnowski Water, Air, & Soil Pollution 229, 1-15, 2018 | 27 | 2018 |
The performance of selected semi-empirical and DFT methods in studying C60 fullerene derivatives C Sikorska, T Puzyn Nanotechnology 26 (45), 455702, 2015 | 27 | 2015 |
The Reason Why HAlCl4 Acid Does Not Exist C Sikorska, S Freza, P Skurski The Journal of Physical Chemistry A 114 (5), 2235-2239, 2010 | 26 | 2010 |
Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment EA Lubecka, AS Karczyńska, AG Lipska, AK Sieradzan, K Ziȩba, ... Journal of Molecular Graphics and Modelling 92, 154-166, 2019 | 21 | 2019 |
Towards an understanding of the nature of superhalogen anions: an ab initio study of the system C Sikorska, P Skurski Molecular Physics 110 (13), 1447-1452, 2012 | 21 | 2012 |
N4Mg6M (M= Li, Na, K) superalkalis for CO2 activation C Sikorska, N Gaston The Journal of Chemical Physics 153 (14), 2020 | 20 | 2020 |
Toward predicting vertical detachment energies for superhalogen anions exclusively from 2-D structures C Sikorska Chemical Physics Letters 625, 157-163, 2015 | 19 | 2015 |
Are noble gas molecules able to exhibit a superhalogen nature? C Sikorska RSC advances 6 (105), 103418-103427, 2016 | 18 | 2016 |
Mg3F7: A superhalogen with potential for new nanomaterials design C Sikorska International Journal of Quantum Chemistry 118 (21), e25728, 2018 | 17 | 2018 |
Utilizing fluoroxyl groups as ligands in superhalogen anions: An ab initio study of the M (OF) k+ 1− systems (M= Li, Na, K, Be, Mg, Ca, B, Al) C Sikorska Chemical Physics Letters 638, 179-186, 2015 | 17 | 2015 |
Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling C Sikorska, A Gajewicz, P Urbaszek, L Lubinski, T Puzyn Chemometrics and Intelligent Laboratory Systems 152, 125-133, 2016 | 15 | 2016 |