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XRD structure and vibrational analysis of DL-β-Leucine, as aided by DFT tetramer model and characterized by NBO, AIM and NCI calculations

Madhuri D. Prabhu, J. Tonannavar Yenagi, Vinayak Kamat, J. Tonannavar

2020Journal of Molecular Structure21 citationsDOI

Topics & Concepts

ChemistryTetramerNatural bond orbitalComputational chemistrySet (abstract data type)CrystallographyDensity functional theoryOrganic chemistryComputer scienceEnzymeProgramming languageMolecular spectroscopy and chiralityNonlinear Optical Materials ResearchAnalytical Chemistry and Chromatography
XRD structure and vibrational analysis of DL-β-Leucine, as aided by DFT tetramer model and characterized by NBO, AIM and NCI calculations | Litcius