St. Berchmans College

Top Publications

Top Publications Authored or Co-Authored in "St. Berchmans College"

• Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins

  Journal of Molecular Liquids, Volume 318, Article 114082, Year 2020, Citations 62
• Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylurea

  Heliyon, Volume 5, No. 6, Article e01987, Year 2019, Citations 47
• Synthesis, characterization, vibrational analysis and computational studies of a new Schiff base from pentafluoro benzaldehyde and sulfanilamide

  Journal of Molecular Structure, Volume 1265, Article 133445, Year 2022, Citations 43
• Schiff base (Z)-4-((furan-2-ylmethylene)amino) benzenesulfonamide: Synthesis, solvent interactions through hydrogen bond, structural and spectral properties, quantum chemical modeling and biological studies

  Journal of Molecular Liquids, Volume 350, Article 118531, Year 2022, Citations 43
• Molecular structure, spectroscopic, dielectric and thermal study, nonlinear optical properties, natural bond orbital, HOMO-LUMO and molecular docking analysis of (C6Cl2O4) (C10H14N2F)2·2H2O

  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Volume 204, Year 2018, Citations 38