@ARTICLE{
author={Mary Sheena Y,Mary Shyma Y,Thomas Renjith,Narayana Badiadka,Samshuddin S,Sarojini Baladka K,Armakovic Stevan,Armakovic Sanja J,Pillai Girinath G},
year={2021},
title={Theoretical Studies on the Structure and Various Physico-Chemical and Biological Properties of a Terphenyl Derivative with Immense Anti-Protozoan Activity},
journal={POLYCYCLIC AROMATIC COMPOUNDS},
volume={41},
number={4},
pages={825-840},
document_type={Article},
} 

@ARTICLE{
author={Haruna K,Kumar Vesna S,Armakovic Sanja J,Armakovic Stevan,Mary Sheena Y,Thomas Renjith,Popoola Saheed A,Almohammedi AR,Roxy MS,Al-Saadi AA},
year={2020},
title={Spectral characterization, thermochemical studies, periodic SAPT calculations and detailed quantum mechanical profiling various physico-chemical properties of 3,4-dichlorodiuron},
journal={SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY},
volume={228},
number={},
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={Al-Otaibi Jamelah S,Sheena Mary Y,Armakovic Stevan,Thomas Renjith},
year={2020},
title={Hybrid and bioactive cocrystals of pyrazinamide with hydroxybenzoic acids: Detailed study of structure, spectroscopic characteristics, other potential applications and noncovalent interactions using SAPT},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1202},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Beegum Shargina,Sheena Mary Y,Shyma Mary Y,Thomas Renjith,Armakovic Stevan,Armakovic Sanja J,Zitko Jan,Dolezal Martin,Van Alsenoy Christian},
year={2020},
title={Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools},
journal={SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY},
volume={224},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Thomas Renjith,Mary Sheena Y,Resmi KS,Narayana Badiadka,Sarojini Baladka K,Armakovic Stevan,Armakovic Sanja J,Vijayakumar G,Van Alsenoy Christian,Mohan BJ},
year={2019},
title={Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1181},
number={},
pages={599-612},
document_type={Article},
} 

@ARTICLE{
author={Mary Sheena Y,Miniyar Pankaj B,Mary Sheena Y,Resmi KS,Panicker C Yohannan,Armakovic Stevan,Armakovic Sanja J,Thomas Renjith,Sureshkumar Bhaskaran},
year={2018},
title={Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1173},
number={},
pages={469-480},
document_type={Article},
} 

@ARTICLE{
author={Hossain Mossaraf,Thomas Renjith,Mary Sheena Y,Resmi KS,Armakovic Stevan,Armakovic Sanja J,Nanda Ashis Kumar,Vijayakumar G,Van Alsenoy Christian},
year={2018},
title={Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1158},
number={},
pages={176-196},
document_type={Article},
} 

@ARTICLE{
author={Thomas Renjith,Hossain Mossaraf,Mary Sheena Y,Resmi KS,Armakovic Stevan,Armakovic Sanja J,Nanda Ashis Kumar,Ranjan Vivek Kumar,Vijayakumar G,Van Alsenoy Christian},
year={2018},
title={Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1158},
number={},
pages={156-175},
document_type={Article},
}