Structural, topological, vibrational, and electronic analysis, and ADMET study of methyl-2-(4-isobutylphenyl)propanoate
Maria R. Xavier, Márcia Machado Marinho, Murilo Sérgio da Silva Julião, Emmanuel Silva Marinho, Francisco Wagner Queiroz Almeida-Neto, Kevin K.A. de Castro, João Pedro da Hora, Matheus Nunes da Rocha, Antônio César Honorato Barreto, Gilberto D. Saraiva, Paulo Nogueira Bandeira, Isaac Moura Araújo, Henrique Douglas Melo Coutinho, Hélcio Silva dos Santos, Alexandre Magno Rodrigues Teixeira
Topics & Concepts
ChemistryDensity functional theoryMolecular orbitalComputational chemistryHOMO/LUMOMulliken population analysisTopology (electrical circuits)Distance matrixMoleculeOrganic chemistryAlgorithmMathematicsCombinatoricsComputer scienceNonlinear Optical Materials ResearchFree Radicals and AntioxidantsStructural and Chemical Analysis of Organic and Inorganic Compounds