| Solvation of monovalent anions in acetonitrile and N, N-dimethylformamide: Parameterization of the IEF-PCM model ES Böes, PR Livotto, H Stassen Chemical physics 331 (1), 142-158, 2006 | 124 | 2006 |
| Accuracy of quantum mechanically derived force-fields parameterized from dispersion-corrected DFT data: The benzene dimer as a prototype for aromatic interactions G Prampolini, PR Livotto, I Cacelli Journal of chemical theory and computation 11 (11), 5182-5196, 2015 | 78 | 2015 |
| A New Totally Flat N (sp 2) C (sp 2) N (sp 2) Pincer Palladacycle: Synthesis and Photoluminescent Properties CS Consorti, G Ebeling, F Rodembusch, V Stefani, PR Livotto, ... Inorganic chemistry 43 (2), 530-536, 2004 | 68 | 2004 |
| An automated approach for the parameterization of accurate intermolecular force‐fields: Pyridine as a case study I Cacelli, A Cimoli, PR Livotto, G Prampolini Journal of Computational Chemistry 33 (10), 1055-1067, 2012 | 63 | 2012 |
| Photocatalytic degradation of drugs by supported titania-based catalysts produced from petrochemical plant residue WL da Silva, MA Lansarin, PR Livotto, JHZ dos Santos Powder Technology 279, 166-172, 2015 | 58 | 2015 |
| The formation of imidazolium salt intimate (contact) ion pairs in solution M Zanatta, AL Girard, NM Simon, G Ebeling, HK Stassen, PR Livotto, ... Angewandte Chemie International Edition 53 (47), 12817-12821, 2014 | 58 | 2014 |
| Confined water in imidazolium based ionic liquids: a supramolecular guest@ host complex case M Zanatta, AL Girard, G Marin, G Ebeling, FP Dos Santos, C Valsecchi, ... Physical Chemistry Chemical Physics 18 (27), 18297-18304, 2016 | 48 | 2016 |
| Anisotropic self-organization of hybrid silica based xerogels containing bridged positively charged 1, 4-diazoniabicycle [2.2. 2] octane chloride group LT Arenas, AC Pinheiro, JD Ferreira, PR Livotto, VP Pereira, MR Gallas, ... Journal of colloid and interface science 318 (1), 96-102, 2008 | 47 | 2008 |
| Hybrid silica bearing different organosilanes produced by the modified Stöber method EG Barrera, PR Livotto, JHZ dos Santos Powder Technology 301, 486-492, 2016 | 46 | 2016 |
| Systematic and automated development of quantum mechanically derived force fields: The challenging case of halogenated hydrocarbons G Prampolini, M Campetella, N De Mitri, PR Livotto, I Cacelli Journal of Chemical Theory and Computation 12 (11), 5525-5540, 2016 | 41 | 2016 |
| Atropisomerism in palladacycles derived from the chloropalladation of heterosubstituted alkynes ML Zanini, MR Meneghetti, G Ebeling, PR Livotto, F Rominger, J Dupont Inorganica chimica acta 350, 527-536, 2003 | 35 | 2003 |
| Development and validation of quantum mechanically derived Force-Fields: Thermodynamic, structural, and vibrational properties of aromatic heterocycles L Greff da Silveira, M Jacobs, G Prampolini, PR Livotto, I Cacelli Journal of Chemical Theory and Computation 14 (9), 4884-4900, 2018 | 33 | 2018 |
| Immobilization of metallocene within silica–titania by a non-hydrolytic sol–gel method AG Fisch, NSM Cardozo, AR Secchi, FC Stedile, PR Livotto, DS de Sa, ... Applied Catalysis A: General 354 (1-2), 88-101, 2009 | 33 | 2009 |
| On the identification of ionic species of neutral halogen dimers, monomers and pincer type palladacycles in solution by electrospray mass and tandem mass spectrometry DM Tomazela, FC Gozzo, G Ebeling, PR Livotto, MN Eberlin, J Dupont Inorganica chimica acta 357 (8), 2349-2357, 2004 | 31 | 2004 |
| Interaction energy landscapes of aromatic heterocycles through a reliable yet affordable computational approach M Jacobs, L Greff Da Silveira, G Prampolini, PR Livotto, I Cacelli Journal of Chemical Theory and Computation 14 (2), 543-556, 2018 | 30 | 2018 |
| Silica imprinted materials containing pharmaceuticals as a template: textural aspects EC Morais, GG Correa, R Brambilla, PR Livotto, JHZ dos Santos, ... Journal of sol-gel science and technology 64, 324-334, 2012 | 30 | 2012 |
| Reactivity of zirconium and titanium alkoxides bidentade complexes on ethylene polymerization NRS Basso, PP Greco, CLP Carone, PR Livotto, LMT Simplício, ... Journal of Molecular Catalysis A: Chemical 267 (1-2), 129-136, 2007 | 29 | 2007 |
| Heterocyclic dyes displaying excited-state intramolecular proton-transfer reactions (ESIPT): computational study of the substitution effect on the electronic absorption spectra … M Segala, NS Domingues Jr, PR Livotto, V Stefani Journal of the Chemical Society, Perkin Transactions 2, 1123-1128, 1999 | 27 | 1999 |
| 3-Arylisoxazolyl-5-carboxylic acid and 5-(Hydroxymethyl)-3-aryl-2-isoxazoline as molecular platforms for liquid-crystalline materials A Tavares, PR Livotto, PFB Gonçalves, AA Merlo Journal of the Brazilian Chemical Society 20, 1742-1752, 2009 | 26 | 2009 |
| Experimental and theoretical study on the reactivity of the R-CN/H2O2 system in the epoxidation of unfunctionalized olefins MLA von Holleben, PR Livotto, CM Schuch Journal of the Brazilian Chemical Society 12, 42-46, 2001 | 24 | 2001 |
