@ARTICLE{
author={Sheena-Mary Y,Al-Shehri Mona M,Jalaja K,Al-Omary Fatmah AM,El-Emam Ali A,Panicker C Yohannan,Armakovic Stevan,Armakovic Sanja J,Temiz-Arpaci Ozlem,Van Alsenoy Christian},
year={2017},
title={Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1133},
number={},
pages={557-573},
document_type={Article},
} 

@ARTICLE{
author={War Javeed Ahmad,Jalaja K,Mary Sheena Y,Panicker C Yohannan,Armakovic Stevan,Armakovic Sanja J,Srivastava Santosh Kumar,Van Alsenoy Christian},
year={2017},
title={Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1129},
number={},
pages={72-85},
document_type={Article},
} 

@ARTICLE{
author={Jalaja K,Mary Sheena Y,Panicker C Yohannan,Armakovic Stevan,Armakovic Sanja J,Sagar BK,Girisha M,Yathirajan HS,Van Alsenoy Christian},
year={2017},
title={Spectroscopic characterization of 4[2-(5-Ethylpyridin-2-yl)ethoxy] benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1128},
number={},
pages={245-256},
document_type={Article},
}