Browsing by Author Ducati, LC

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PreviewIssue DateTitleAuthor(s)AdvisorType
2010Difference between (2)J(C2H3) and (2)J(C3H2) spin-spin couplings in heterocyclic five- and six-membered rings as a probe for studying sigma-ring currents: a quantum chemical analysistContreras, RH; dos Santos, FP; Ducati, LC; Tormena, CF-Artigo de periódico
2014Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by H-1 NMR and infrared spectroscopies and theoretical calculationsCormanich, RA; Ducati, LC; Tormena, CF; Rittner, R-Artigo de periódico
2012Critical analysis of the through-space transmission of NMR J(FH) spin-spin coupling constantsContreras, RH; Ducati, LC; Tormena, CF-Artigo de periódico
2013A critical evaluation of the s-cis-trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculationsDucati, LC; Braga, CB; Rittner, R; Tormena, CF-Artigo de periódico
2010Analysis of Canonical Molecular Orbitals to Identify Fermi Contact Coupling Pathways. 1. Through-Space Transmission by Overlap of P-31 Lone PairsContreras, RH; Gotelli, G; Ducati, LC; Barbosa, TA; Tormena, CF-Artigo de periódico
2014A study of the rotational barriers for some organic compounds using the G3 and G3CEP theoriesPereira, DH; Ducati, LC; Rittner, R; Custodio, R-Artigo de periódico
2013A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N,N-dimethylglycineCormanich, RA; Ducati, LC; Tormena, CF; Rittner, R-Artigo de periódico
2013A theoretical and experimental 1H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl esterCormanich, RA; Ducati, LC; Tormena, CF; Rittner, R-Artigo de periódico
2011Are hydrogen bonds responsible for glycine conformational preferences?Cormanich, RA; Ducati, LC; Rittner, R-Artigo de periódico
2008An investigation of the electronic structure of some 3-monosubstituted-2-methylpropenes through computational chemistry and photoelectron spectroscopySchuquel, ITA; Ducati, LC; Custodio, R; Rittner, R; Klapstein, D-Artigo de periódico
2014Conformational Analysis and Intramolecular Interactions of L-Proline Methyl Ester and Its N-Acetylated Derivative through Spectroscopic and Theoretical StudiesBraga, CB; Ducati, LC; Tormena, CF; Rittner, R-Artigo de periódico
2011Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculationsRittner, R; Ducati, LC; Tormena, CF; Fiorin, BC; Braga, CB-Artigo de periódico
2006Conformational isomerism and electronic interactions in some alpha-aminoketonesDucati, LC; Rittner, R; Custodio, R-Artigo de periódico
2012Conformational and stereoeletronic investigations of muscarinic agonists of acetylcholine by NMR and theoretical calculationsda Silva, JCA; Ducati, LC; Rittner, R-Artigo de periódico
2006Conformational and stereoelectronic investigation of chloromethyl methyl sulfide and its sulfinyl and sulfonyl analogsDucati, LC; Freitas, MP; Tormena, CF; Rittner, R-Artigo de periódico
2009Heavy Halogen Atom Effect on C-13 NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical StudyNeto, AC; Ducati, LC; Rittner, R; Tormena, CF; Contreras, RH; Frenking, G-Artigo de periódico
2013H-1 NMR and theoretical studies on the conformational equilibrium of tryptophan methyl esterDuarte, CJ; Cormanich, RA; Ducati, LC; Rittner, R-Artigo de periódico
2008The case of intramolecular hydrogen bonding, hyperconjugation and classical effects on the conformational isomerism of substituted carbonyl and thiocarbonyl compoundsDucati, LC; Freitas, MP; Tormena, CF; Rittner, R-Artigo de periódico
2009Influence of tetralkylammonium cations on the formation of silicoaluminophosphates CAL-2Felix, DL; Strauss, M; Ducati, LC; Pastore, HO-Artigo de periódico
2007Effects of hyperconjugative interactions on (1)J(CH) coupling constant for hexamethylenetetramine and adamantane: Theoretical and experimental studydos Santos, FP; Ducati, LC; Tormena, CF; Rittner, R-Artigo de periódico