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Ricardo Freire
Ricardo Freire
Professor of Chemistry, Universidade Federal de Sergipe
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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
8532006
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
2282012
LUMPAC lanthanide luminescence software: Efficient and user friendly
JDL Dutra, TD Bispo, RO Freire
Journal of computational chemistry 35 (10), 772-775, 2014
1892014
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
1832005
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
1442006
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
1352006
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
1052012
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
1052010
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
962008
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
942007
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
892004
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
862011
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
812007
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
732014
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
702009
Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations
RO Freire, GB Rocha, AM Simas
Journal of Molecular Modeling 12 (4), 373-389, 2006
702006
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
692009
3-Phenyl-4-aroyl-5-isoxazolonate complexes of Tb 3+ as promising light-conversion molecular devices
S Biju, MLP Reddy, RO Freire
Inorganic Chemistry Communications 10 (4), 393-396, 2007
652007
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
642012
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
63*2013
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