| 1 |
Flow Synthesis of 2-[Methyl(pyridin-2-yl)amino]ethanol: An Experimental and Computational Study
Calvo PVC, Batista PR, Silva RRD, Converti A, Al Arni S, Solisio C, Ducati LC, Palma MSA
Chemical Engineering & Technology, 44(2), 283, 2021 |
| 2 |
Dealing with Hydrogen Bonding on the Conformational Preference of 1,3-Aminopropanols: Experimental and Molecular Dynamics Approaches
Batista PR, Karas LJ, Viesser RV, de Oliveira CC, Goncalves MB, Tormena CF, Rittner R, Ducati LC, de Oliveira PR
Journal of Physical Chemistry A, 123(40), 8583, 2019 |
| 3 |
Thermochromic Uranyl Isothiocyanates: Influencing Charge Transfer Bands with Supramolecular Structure
Surbella RG, Ducati LC, Autschbach J, Deifel NP, Cahill CL
Inorganic Chemistry, 57(5), 2455, 2018 |
| 4 |
Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly
Surbella RG, Ducati LC, Pellegrini KL, McNamara BK, Autschbach J, Schwantes JM, Cahill CL
Journal of the American Chemical Society, 139(31), 10843, 2017 |
| 5 |
NMR J-Coupling Constants of TI-Pt Bonded Metal Complexes in Aqueous Solution: Ab Initio Molecular Dynamics and Localized Orbital Analysis
Ducati LC, Marchenko A, Autschbach J
Inorganic Chemistry, 55(22), 12011, 2016 |
| 6 |
Conformational Analysis and Electronic Interactions of Some 4'-Substituted-2-ethylthio-phenylacetates
Rodrigues DNS, Ducati LC, Olivato PR, Dal Colle M
Journal of Physical Chemistry A, 119(16), 3823, 2015 |
| 7 |
Conformational Analysis and Intramolecular Interactions of L-Proline Methyl Ester and Its N-Acetylated Derivative through Spectroscopic and Theoretical Studies
Braga CB, Ducati LC, Tormena CF, Rittner R
Journal of Physical Chemistry A, 118(9), 1748, 2014 |
| 8 |
Revisiting NMR Through-Space J(FF) Spin-Spin Coupling Constants for Getting Insight into Proximate F---F Interactions
Contreras RH, Llorente T, Ducati LC, Tormena CF
Journal of Physical Chemistry A, 118(27), 5068, 2014 |
| 9 |
Unexpected Geometrical Effects on Paramagnetic Spin-Orbit and Spin-Dipolar (2)J(FF) Couplings
Ducati LC, Contreras RH, Tormena CF
Journal of Physical Chemistry A, 116(20), 4930, 2012 |
| 10 |
Experimental, SOPPA(CCSD), and DFT Analysis of Substitutent Effects on NMR (1)J(CF) Coupling Constants in Fluorobenzene Derivatives
Vilcachagua JD, Ducati LC, Rittner R, Contreras RH, Tormena CF
Journal of Physical Chemistry A, 115(7), 1272, 2011 |
