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Total Number of Papers: 5
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Abbreviation : MPA
Long Form : Mulliken population analysis
No. Year Title Co-occurring Abbreviation
2018 A novel high performance nano chemosensor for copper (II) ion based on an ultrasound-assisted synthesized diphenylamine-based Schiff base: Design, fabrication and density functional theory calculations. DFT, ESP, M.O, MEP
2018 Sonochemical synthesis, in vitro evaluation and DFT study of novel phenothiazine base Schiff bases and their nano copper complexes as the precursors for new shaped CuO-NPs. ESP, M.O, MEP
2018 Synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H- [1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approach. DFT, GIAO, MD, NBO, NPA, PED
2016 Efficient Separation of Europium Over Americium Using Cucurbit-[5]-uril Supramolecule: A Relativistic DFT Based Investigation. DFT, EDA, NM, QTAIM
1996 Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials. CoMFA, MEPs