| Molecules with All Triple Bonds: OCBBCO, N2BBN2, and [OBBBBO]2− LC Ducati, N Takagi, G Frenking The Journal of Physical Chemistry A 113 (43), 11693-11698, 2009 | 79 | 2009 |
| Transuranic hybrid materials: Crystallographic and computational metrics of supramolecular assembly RG Surbella III, LC Ducati, KL Pellegrini, BK McNamara, J Autschbach, ... Journal of the American Chemical Society 139 (31), 10843-10855, 2017 | 49 | 2017 |
| The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13 C NMR chemical shifts in substituted benzenes RV Viesser, LC Ducati, CF Tormena, J Autschbach Chemical Science 8 (9), 6570-6576, 2017 | 45 | 2017 |
| Heavy Halogen Atom Effect on 13C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study AC Neto, LC Ducati, R Rittner, CF Tormena, RH Contreras, G Frenking Journal of Chemical Theory and Computation 5 (9), 2222-2228, 2009 | 41 | 2009 |
| Engaging the terminal: promoting halogen bonding interactions with uranyl oxo atoms KP Carter, M Kalaj, RG Surbella III, LC Ducati, J Autschbach, CL Cahill Chemistry–A European Journal 23 (61), 15355-15369, 2017 | 40 | 2017 |
| Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach MAP Martins, AR Meyer, AZ Tier, K Longhi, LC Ducati, HG Bonacorso, ... CrystEngComm 17 (38), 7381-7391, 2015 | 36 | 2015 |
| The halogen effect on the 13 C NMR chemical shift in substituted benzenes RV Viesser, LC Ducati, CF Tormena, J Autschbach Physical Chemistry Chemical Physics 20 (16), 11247-11259, 2018 | 33 | 2018 |
| Experimental, SOPPA(CCSD), and DFT Analysis of Substitutent Effects on NMR 1JCF Coupling Constants in Fluorobenzene Derivatives JD Vilcachagua, LC Ducati, R Rittner, RH Contreras, CF Tormena The Journal of Physical Chemistry A 115 (7), 1272-1279, 2011 | 33 | 2011 |
| Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations R Rittner, LC Ducati, CF Tormena, BC Fiorin, CB Braga Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 79 (5 …, 2011 | 30 | 2011 |
| Analysis of Canonical Molecular Orbitals to Identify Fermi Contact Coupling Pathways. 1. Through-Space Transmission by Overlap of 31P Lone Pairs RH Contreras, G Gotelli, LC Ducati, TM Barbosa, CF Tormena The Journal of Physical Chemistry A 114 (2), 1044-1051, 2010 | 30 | 2010 |
| Are hydrogen bonds responsible for glycine conformational preferences? RA Cormanich, LC Ducati, R Rittner Chemical Physics 387 (1-3), 85-91, 2011 | 28 | 2011 |
| Effects of stereoelectronic interactions on the relativistic spin–orbit and paramagnetic components of the 13 C NMR shielding tensors of dihaloethenes RV Viesser, LC Ducati, J Autschbach, CF Tormena Physical Chemistry Chemical Physics 17 (29), 19315-19324, 2015 | 22 | 2015 |
| Revisiting NMR Through-Space JFF Spin–Spin Coupling Constants for Getting Insight into Proximate F---F Interactions RH Contreras, T Llorente, LC Ducati, CF Tormena The Journal of Physical Chemistry A 118 (27), 5068-5075, 2014 | 22 | 2014 |
| Thermochromic uranyl isothiocyanates: influencing charge transfer bands with supramolecular structure RG Surbella III, LC Ducati, J Autschbach, NP Deifel, CL Cahill Inorganic Chemistry 57 (5), 2455-2471, 2018 | 20 | 2018 |
| Conformational Analysis and Intramolecular Interactions of l-Proline Methyl Ester and Its N-Acetylated Derivative through Spectroscopic and Theoretical Studies CB Braga, LC Ducati, CF Tormena, R Rittner The Journal of Physical Chemistry A 118 (9), 1748-1758, 2014 | 19 | 2014 |
| The lack of intramolecular hydrogen bonding and the side chain effect in alanine conformers RA Cormanich, LC Ducati, R Rittner Journal of Molecular Structure 1014, 12-16, 2012 | 19 | 2012 |
| Ionic Liquid Solvation versus Catalysis: Computational Insight from a Multisubstituted Imidazole Synthesis in [Et2NH2][HSO4] Y Abdullayev, V Abbasov, LC Ducati, A Talybov, J Autschbach ChemistryOpen 5 (5), 460-469, 2016 | 18 | 2016 |
| A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N, N-dimethylglycine RA Cormanich, LC Ducati, CF Tormena, R Rittner Chemical Physics 421, 32-38, 2013 | 18 | 2013 |
| A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories DH Pereira, LC Ducati, R Rittner, R Custodio Journal of molecular modeling 20, 1-14, 2014 | 17 | 2014 |
| Critical analysis of the through‐space transmission of NMR JFH spin–spin coupling constants RH Contreras, LC Ducati, CF Tormena International Journal of Quantum Chemistry 112 (19), 3158-3163, 2012 | 17 | 2012 |
Claudio Francisco TormenaChemistry Institute, Associate Professor, University of CampinasVerified email at unicamp.br
