@ARTICLE{
author={Mary Sheena Y,Mary Shyma Y,Bielenica Anna,Armakovic Stevan,Armakovic Sanja J,Chandramohan Vivek,Dammalli Manjunath},
year={2021},
title={Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT and MD simulations},
journal={JOURNAL OF MOLECULAR MODELING},
volume={27},
number={8},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Bielenica Anna,Beegum Shargina,Sheena Mary Y,Shyma Mary Y,Thomas Renjith,Armakovic Stevan,Armakovic Sanja J,Madeddu Silvia,Struga Marta,Van Alsenoy Christian},
year={2020},
title={Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1205},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Menon Vidya V,Mary Sheena Y,Mary Sheena Y,Panicker C Yohannan,Bielenica Anna,Armakovic Stevan,Armakovic Sanja J,Van Alsenoy Christian},
year={2018},
title={Combined spectroscopic, DFr, TD-DFT and MD study of newly synthesized thiourea derivative},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1155},
number={},
pages={184-195},
document_type={Article},
} 

@ARTICLE{
author={Aswathy VV,Mary Sheena Y,Jojo PJ,Panicker C Yohannan,Bielenica Anna,Armakovic Stevan,Armakovic Sanja J,Brzozka Paulina,Krukowski Sylwester,Van Alsenoy Christian},
year={2017},
title={Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichloropheny1)-3[3-(trifluoromethyl)phenyl] thiourea (ANF-6): Combined experimental and computational study},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1134},
number={},
pages={668-680},
document_type={Article},
} 

@ARTICLE{
author={Mary Sheena Y,Aswathy VV,Panicker C Yohannan,Bielenica Anna,Brzozka Paulina,Savczenko Oleksandra,Armakovic Stevan,Armakovic Sanja J,Van Alsenoy Christian},
year={2016},
title={Spectroscopic, single crystal XRD structure, DFT and molecular dynamics investigation of 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea},
journal={RSC Advances},
volume={6},
number={113},
pages={111997-112015},
document_type={Article},
}