Narayan, Vijay

Top Publications

Top Publications Authored or Co-Authored by "Narayan, Vijay"

• A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H-indol-5-carboxylate

  Journal of Molecular Structure, Volume 1137, Year 2017, Citations 44
• Structural and spectroscopic characterization of a novel potential chemotherapeutic agent 3-(1-adamantyl)-1-{[4-(2-methoxyphenyl)piperazin-1-yl] methyl}-4-methyl-1H-1,2,4-triazole-5(4H)-thione by first principle calculations

  Journal of Molecular Structure, Volume 1022, Year 2012, Citations 38
• Quantum-chemical (DFT, MP2) and spectroscopic studies (FT-IR and UV) of monomeric and dimeric structures of 2(3H)-Benzothiazolone

  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Volume 120, Year 2014, Citations 13
• Comprehensive quantum chemical calculations and molecular docking analysis of uracil mustard by first principle

  Journal of the Indian Chemical Society, Volume 99, No. 8, Article 100580, Year 2022, Citations 7
• Time-Dependent Density Functional Theory, AIM Analysis, NLO, and Thermodynamic Properties of Propofol and Adsorption Effects of Propofol Drug over Carbon Nanotube (C56H16) as the Factor of Drug Delivery System

  Macromolecular Symposia, Volume 407, No. 1, Article 2100451, Year 2023, Citations 5