Structural Chemistry

Publications - Structural chemistry group

Synthesis, spectral characterisation, quantum mechanical analysis and light harvesting properties of two azoimidazole analogues

Source
Journal of molecular structure - ISSN 0022-2860-1199 (2020) p.
Author(s)
    M. Smitha, Y. Sheena Mary, Kiran Pradhan, Dhiraj Brahman, Y. Shyma Mary, Renjith Thomas, Rani Pavithran, M.S Roxy, Christian Van Alsenoy

Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools

Source
Spectrochimica acta: part A: molecular and biomolecular spectroscopy - ISSN 1386-1425-224 (2020) p.
Author(s)
    Shargina Beegum, Y. Sheena Mary, Y. Shyma Mary, Renjith Thomas, Stevan Armakovíc, Sanja J. Armakovíc, Jan Zitko, Martin Dolezal, Christian Van Alsenoy

Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea

Source
Journal of molecular structure - ISSN 0022-2860-1205 (2020) p.
Author(s)
    Anna Bielenica, Shargina Beegum, Y. Sheena Mary, Y. Shyma Mary, Renjith Thomas, Stevan Armakovíc, Sanja J. Armakovíc, Silvia Madeddu, Marta Struga, Christian Van Alsenoy

Quinoline derivatives as possible lead compounds for anti-malarial drugs : Spectroscopic, DFT and MD study

Source
Arabian Journal of Chemistry - ISSN 1878-5352-13:1 (2020) p. 632-648
Author(s)
    Bhaskaran Sureshkumar, Yohannan Sheena Mary, Chacko Yohannan Panicker, Somasekharan Suma, Stevan Armakovic, Sanja J. Armakovic, Christian Van Alsenoy, Badiadka Narayana

An overview of self-consistent field calculations within finite basis sets

Source
Molecules: a journal of synthetic chemistry and natural product chemistry - ISSN 1420-3049-25:5 (2020) p. 1-23
Author(s)