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List of works by Celina Sikorska

A strongly bound OF 3 - anion and its unstable parent neutral OF3 species

scientific article

Assessment of chemical-crosslink-assisted protein structure modeling in CASP13

scientific article published on 07 October 2019

Assessment of chemical-crosslink-assisted protein structure modeling in CASP13

scientific article published on 03 January 2020

BX4- and AlX4- superhalogen anions (X = F, Cl, Br): an ab initio study

scientific article published on 19 July 2008

Development of a novel in silico model of zeta potential for metal oxide nanoparticles: a nano-QSPR approach

scientific article published on 26 September 2016

Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling

scholarly article by Celina Sikorska et al published March 2016 in Chemometrics and Intelligent Laboratory Systems

Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment

scientific article published on 26 July 2019

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 Water Samples: Theoretical Study

scientific article published on 14 July 2018

Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13

scientific article published on 11 February 2020

Magnesium-Based Clusters as Building Blocks of Electrolytes in Lithium-Ion Batteries

scientific article published on 30 July 2019

Magnesium-Based Oxyfluoride Superatoms: Design, Structure, and Electronic Properties

scientific article published on 15 April 2019

Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C60 fullerene using Nano-QSPR.

scientific article

Moderately Reactive Molecules Forming Stable Ionic Compounds with Superhalogens ⬇️

scientific article published on 07 June 2011

Modified Lennard-Jones potentials for nanoscale atoms

scientific article published on 27 June 2020

N4Mg6M (M = Li, Na, K) superalkalis for CO2 activation

scientific article published on 01 October 2020

Overview of experimental and computational methods for the determination of the pKa values of 5-fluorouracil, cyclophosphamide, ifosfamide, imatinib and methotrexate

scientific article published in December 2017

Oxidizing Metal Oxides with Polynuclear Superhalogen: An ab Initio Study

scientific article published on 10 September 2018

The performance of selected semi-empirical and DFT methods in studying C60 fullerene derivatives

The reason why HAlCl(4) acid does not exist

scientific article published on 01 February 2010

Theoretical search for alternative nine-electron ligands suitable for superhalogen anions

scientific article published on 22 February 2011

When a nanoparticle meets a superhalogen: a case study with C60 fullerene

scientific article published on 27 June 2016

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