| RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I GB Rocha, RO Freire, AM Simas, JJP Stewart Journal of computational chemistry 27 (10), 1101-1111, 2006 | 942 | 2006 |
| Cytotoxicity and slow release of the anti-cancer drug doxorubicin from ZIF-8 IB Vasconcelos, TG da Silva, GCG Militão, TA Soares, NM Rodrigues, ... RSC Advances 2 (25), 9437-9442, 2012 | 318 | 2012 |
| LUMPAC lanthanide luminescence software: Efficient and user friendly JDL Dutra, TD Bispo, RO Freire Journal of computational chemistry 35 (10), 772-775, 2014 | 264 | 2014 |
| Sparkle model for the calculation of lanthanide complexes: AM1 parameters for Eu (III), Gd (III), and Tb (III) RO Freire, GB Rocha, AM Simas Inorganic chemistry 44 (9), 3299-3310, 2005 | 193 | 2005 |
| Spectroscopic Study of a UV‐Photostable Organic–Inorganic Hybrids Incorporating an Eu3+ β‐Diketonate Complex PP Lima, RA Sá Ferreira, RO Freire, FA Almeida Paz, L Fu, S Alves Jr, ... ChemPhysChem 7 (3), 735-746, 2006 | 150 | 2006 |
| 3-phenyl-4-benzoyl-5-isoxazolonate Complex of Eu3+ with Tri-n-octylphosphine Oxide as a Promising Light-conversion Molecular Device R Pavithran, NS Saleesh Kumar, S Biju, MLP Reddy, SA Junior, RO Freire Inorganic chemistry 45 (5), 2184-2192, 2006 | 135 | 2006 |
| Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials JDL Dutra, MAM Filho, GB Rocha, RO Freire, AM Simas, JJP Stewart Journal of chemical theory and computation 9 (8), 3333-3341, 2013 | 124 | 2013 |
| Sparkle/PM6 Parameters for all Lanthanide Trications from La (III) to Lu (III) RO Freire, AM Simas Journal of Chemical Theory and Computation 6 (7), 2019-2023, 2010 | 120 | 2010 |
| Tb3+→ Eu3+ Energy Transfer in Mixed-Lanthanide-Organic Frameworks MO Rodrigues, JDL Dutra, LAO Nunes, GF de Sá, WM de Azevedo, ... The Journal of Physical Chemistry C 116 (37), 19951-19957, 2012 | 118 | 2012 |
| Energy transfer mechanisms in organic-inorganic hybrids incorporating europium (III): a quantitative assessment by light emission spectroscopy PP Lima, SS Nobre, RO Freire, SA Junior, RA Sá Ferreira, U Pischel, ... The Journal of Physical Chemistry C 111 (47), 17627-17634, 2007 | 100 | 2007 |
| Sparkle model for AM1 calculation of lanthanide complexes: Improved parameters for europium GB Rocha, RO Freire, NB da Costa Jr, GF de Sá, AM Simas Inorganic chemistry 43 (7), 2346-2354, 2004 | 99 | 2004 |
| Tuning of the excitation wavelength from UV to visible region in Eu3+-β-diketonate complexes: Comparison of theoretical and experimental photophysical properties V Divya, RO Freire, MLP Reddy Dalton Transactions 40 (13), 3257-3268, 2011 | 97 | 2011 |
| Theoretical and Experimental Studies of the Photoluminescent Properties of the Coordination Polymer [Eu (DPA)(HDPA)(H2O) 2]⊙ 4H2O MO Rodrigues, NB da Costa Júnior, CA de Simone, AAS Araújo, ... The Journal of Physical Chemistry B 112 (14), 4204-4212, 2008 | 95 | 2008 |
| A EuIII Tetrakis (β-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires S Biju, RO Freire, YK Eom, R Scopelliti, JCG Bünzli, HK Kim Inorganic chemistry 53 (16), 8407-8417, 2014 | 88 | 2014 |
| Influence of fluorinated chain length on luminescent properties of Eu3+ β-diketonate complexes EA Varaksina, IV Taydakov, SA Ambrozevich, AS Selyukov, KA Lyssenko, ... Journal of Luminescence 196, 161-168, 2018 | 85 | 2018 |
| Energy transfer and emission quantum yields of organic-inorganic hybrids lacking metal activator centers SS Nobre, PP Lima, L Mafra, RA Sá Ferreira, RO Freire, L Fu, U Pischel, ... The Journal of Physical Chemistry C 111 (8), 3275-3284, 2007 | 84 | 2007 |
| Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks MO Rodrigues, FAA Paz, RO Freire, GF de Sa, A Galembeck, ... The Journal of Physical Chemistry B 113 (36), 12181-12188, 2009 | 78 | 2009 |
| Sparkle/RM1 Parameters for the Semiempirical Quantum Chemical Calculation of Lanthanide Complexes. MA Machado Filho, JDL Dutra, GB Rocha, RO Freire, AM Simas RSC Adv., 2013 | 77 | 2013 |
| Sparkle/PM3 for the modeling of europium (III), gadolinium (III), and terbium (III) complexes RO Freire, GB Rocha, AM Simas Journal of the Brazilian Chemical Society 20 (9), 1638-1645, 2009 | 75 | 2009 |
| Synthesis and Characterization of the Europium (III) Pentakis (picrate) Complexes with Imidazolium Countercations: Structural and Photoluminescence Study AS Borges, JDL Dutra, RO Freire, RT Moura Jr, JG Da Silva, OL Malta, ... Inorganic chemistry 51 (23), 12867-12878, 2012 | 73 | 2012 |
Gerd Bruno RochaProfessor and Researcher at Department of Chemistry, Federal University of Paraiba - UFPBVerified email at quimica.ufpb.br
