S. Madhankumar

Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate

J.D. Deephlin Tarika, X.D. Divya Dexlin, S. Madhankumar et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2021 · 75 citations · Full text

Medicinal Chemistry, Engineering, Biochemistry +9

Molecular properties, crystal structure, Hirshfeld surface analysis and computational calculations of a new third order NLO organic crystal, 2-aminopyridinium benzilate

S. Madhankumar, P. Muthuraja, M. Dhandapani · Journal of Molecular Structure · 2018 · 49 citations

Crystal Structure, Chemical Engineering, Organic Material Chemistry +7

Structural characterization, quantum chemical calculations and Hirshfeld surface analysis of a new third order harmonic organic crystal: 2-Amino-4-methylpyridinium benzilate

S. Madhankumar, P. Muthuraja, M. Dhandapani · Journal of Molecular Structure · 2019 · 36 citations

Materials Science, Structural Characterization, Engineering +10

Structural characterization, computational and biological studies of a new third order NLO (1:1) organic adduct: 2-Aminopyrimidine: 3-nitrophthalic acid

K. Singaravelan, A. Chandramohan, S. Madhankumar et al. · Journal of Molecular Structure · 2019 · 15 citations

Organic Material Chemistry, Structural Characterization, Engineering +8

Hydrogen bond analysis of a third order nonlinear optical crystal, 2-amino-5-bromopyridinium benzilate, using structural and computational characterizations

S. Madhankumar, P. Muthuraja, M. Dhandapani · Journal of Molecular Structure · 2019 · 13 citations

Computational Characterizations, Engineering, Optical Properties +12