van Alsenoy, Christiaan V.

Top Publications

Top Publications Authored or Co-Authored by "van Alsenoy, Christiaan V."

• Molecular structure, FT-IR, vibrational assignments, HOMO-LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Volume 136, No. PB, Year 2015, Citations 67
• Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, a potential precursor to bioactive agents

  Journal of Molecular Structure, Volume 1123, Year 2016, Citations 57
• Spectroscopic investigations, NBO, HOMO-LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential bioactive agent

  Journal of Molecular Structure, Volume 1096, Year 2015, Citations 54
• DFT and experimental (FT-IR and FT-Raman) investigation of vibrational spectroscopy and molecular docking studies of 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-N-(3,4,5-trimethoxyphenyl) acetamide

  Journal of Molecular Structure, Volume 1113, Year 2016, Citations 50
• FT-IR, FT-Raman, molecular structure, first order hyperpolarizability, HOMO and LUMO analysis, MEP and NBO analysis of 3-(adamantan-1-yl)-4-(prop-2-en-1- yl)-1H-1,2,4-triazole-5(4H)-thione, a potential bioactive agent

  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Volume 132, Year 2014, Citations 39