| Year |
Citation |
Score |
| 2023 |
Ramos TJS, Longo RL, Brites CDS, Ferreira RAS, Malta OL, Carlos LD. Exploring the intra-4f and the bright white light upconversion emissions of GdO:Yb,Er-based materials for thermometry. Nanoscale. PMID 37265264 DOI: 10.1039/d3nr01764h |
0.517 |
|
| 2021 |
Qin X, Carneiro Neto AN, Longo RL, Wu Y, Malta OL, Liu X. Surface Plasmon-Photon Coupling in Lanthanide-Doped Nanoparticles. The Journal of Physical Chemistry Letters. 1520-1541. PMID 33534586 DOI: 10.1021/acs.jpclett.0c03613 |
0.506 |
|
| 2020 |
Moura RT, Carneiro Neto AN, Malta OL, Longo RL. Overlap properties of chemical bonds in generic systems including unusual bonding situations. Journal of Molecular Modeling. 26: 301. PMID 33057836 DOI: 10.1007/s00894-020-04535-w |
0.548 |
|
| 2019 |
Silva JYR, Proenza YG, da Luz LL, de Sousa Araújo S, Filho MAG, Junior SA, Soares TA, Longo RL. A thermo-responsive adsorbent-heater-thermometer nanomaterial for controlled drug release: (ZIF-8,EuTb)@AuNP core-shell. Materials Science & Engineering. C, Materials For Biological Applications. 102: 578-588. PMID 31147030 DOI: 10.1016/J.Msec.2019.04.078 |
0.309 |
|
| 2019 |
Silva DJRd, Longo RL. The activity coefficient within the solvation thermodynamics formalism: Fundamentals and applications to neutral solutes Journal of Molecular Liquids. 282: 577-586. DOI: 10.1016/J.Molliq.2019.03.025 |
0.356 |
|
| 2019 |
Souza KMNd, Carvalho LPd, Silva JABd, Longo RL. On the structures of dinuclear symmetric lanthanide complexes and the selectivity towards heterodinuclear complexes based on molecular modeling Inorganica Chimica Acta. 494: 65-73. DOI: 10.1016/J.Ica.2019.05.009 |
0.355 |
|
| 2018 |
Malta OL, Faustino WM, Neto ANC, Longo RL, Araújo CBd, Carlos LD. Preface to the virtual special issue of journal of luminescence on ICL-2017 in Joao Pessoa, Paraiba, Brazil, from August 27th to September 1st, 2017 Journal of Luminescence. 204: 41. DOI: 10.1016/J.Jlumin.2018.07.028 |
0.495 |
|
| 2017 |
Aguiar EC, Longo RL, da Silva JB. Modeling zigzag CNT: dependence of structural and electronic properties on length, and application to encapsulation of HCN and C2H2. Journal of Molecular Modeling. 23: 144. PMID 28364309 DOI: 10.1007/S00894-017-3319-7 |
0.326 |
|
| 2017 |
de Oliveira PM, Silva JA, Longo RL. Benchmark, DFT assessments, cooperativity, and energy decomposition analysis of the hydrogen bonds in HCN/HNC oligomeric complexes. Journal of Molecular Modeling. 23: 56. PMID 28161784 DOI: 10.1007/S00894-017-3235-X |
0.344 |
|
| 2017 |
Carvalho LPd, Silva KF, Santos LLd, Santos MVPd, Silva JABd, Longo RL. Chemoselective oxidation of unsaturated organosulfur, selenium and phosphorus compounds by molybdenum oxodiperoxo complexes: A computational investigation Inorganica Chimica Acta. 467: 351-357. DOI: 10.1016/J.Ica.2017.08.021 |
0.3 |
|
| 2017 |
Santos MVPd, Proenza YG, Mahmood A, Longo RL. PICVib: an accurate, fast and simple procedure to investigate selected vibrational modes at high theoretical levels and evaluate Raman intensities Journal of Raman Spectroscopy. 48: 327-335. DOI: 10.1002/Jrs.5008 |
0.315 |
|
| 2016 |
Proenza YG, de Souza MA, Longo RL. Dynamical Bifurcation in Gas-Phase XH + CH Y S 2 Reactions: The Role of Energy Flow and Redistribution in Avoiding the Minimum Energy Path. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 16220-16229. PMID 27651104 DOI: 10.1002/Chem.201602976 |
0.314 |
|
| 2016 |
Mahmood A, Longo RL. Structural and relative energy assessments of DFT functionals and the MP2 method to describe the gas phase methylation of nitronates: [R(1)R(2)CNO2](-) + CH3I. Physical Chemistry Chemical Physics : Pccp. 18: 17062-70. PMID 27299164 DOI: 10.1039/C5Cp07833D |
0.316 |
|
| 2016 |
Santos DP, Longo RL. Molecular Dynamics Simulations of Specific Anion Adsorption on Sulfobetaine (SB3-14) Micelles. The Journal of Physical Chemistry. B. 120: 2771-80. PMID 26907972 DOI: 10.1021/Acs.Jpcb.5B12475 |
0.323 |
|
| 2016 |
Moura RT, Neto ANC, Longo RL, Malta OL. On the calculation and interpretation of covalency in the intensity parameters of 4f–4f transitions in Eu3+ complexes based on the chemical bond overlap polarizability Journal of Luminescence. 170: 420-430. DOI: 10.1016/J.Jlumin.2015.08.016 |
0.618 |
|
| 2016 |
Oliveira CK, Souza VPd, Luz LLd, Vicenti JRdM, Burrow RA, Alves S, Longo RL, Malvestiti I. Synthesis, crystal structure and luminescent properties of lanthanide extended structure with asymmetrical dinuclear units based on 2-(methylthio)benzoic acid Journal of Luminescence. 170: 528-537. DOI: 10.1016/J.Jlumin.2015.06.037 |
0.304 |
|
| 2016 |
Teixeira ES, Neto BB, Oliveira PMCd, Longo RL. Chemometric analysis of the luminescence quantum yields in lanthanide ion complexes Journal of Luminescence. 170: 602-613. DOI: 10.1016/J.Jlumin.2014.10.033 |
0.353 |
|
| 2015 |
Moura RT, Duarte GC, da Silva TE, Malta OL, Longo RL. Features of chemical bonds based on the overlap polarizabilities: diatomic and solid-state systems with the frozen-density embedding approach. Physical Chemistry Chemical Physics : Pccp. 17: 7731-42. PMID 25712634 DOI: 10.1039/C4Cp05283H |
0.591 |
|
| 2015 |
Shyichuk A, Câmara SS, Weber IT, Carneiro Neto AN, Nunes LAO, Lis S, Longo RL, Malta OL. Energy transfer upconversion dynamics in YVO4: Yb3+,Er3+ Journal of Luminescence. DOI: 10.1016/J.Jlumin.2015.07.005 |
0.604 |
|
| 2015 |
Mahmood A, Khan IU, Longo RL, Irfan A, Shahzad SA. Synthesis and structure of 1-benzyl-5-amino-1H-tetrazole in the solid state and in solution: Combining X-ray diffraction, 1H NMR, FT–IR, and UV–Vis spectra and DFT calculations Comptes Rendus Chimie. 18: 422-429. DOI: 10.1016/J.Crci.2014.07.009 |
0.344 |
|
| 2014 |
Bai X, Caputo G, Hao Z, Freitas VT, Zhang J, Longo RL, Malta OL, Ferreira RA, Pinna N. Efficient and tuneable photoluminescent boehmite hybrid nanoplates lacking metal activator centres for single-phase white LEDs. Nature Communications. 5: 5702. PMID 25483290 DOI: 10.1038/Ncomms6702 |
0.563 |
|
| 2014 |
dos Santos MV, Proenza YG, Longo RL. PICVib: an accurate, fast and simple procedure to investigate selected vibrational modes and evaluate infrared intensities. Physical Chemistry Chemical Physics : Pccp. 16: 17670-80. PMID 25027541 DOI: 10.1039/C4Cp02279C |
0.327 |
|
| 2013 |
dos Santos MV, Aguiar EC, da Silva JB, Longo RL. PICVib: an accurate, fast, and simple procedure to investigate selected vibrational modes at high theoretical levels. Journal of Computational Chemistry. 34: 611-21. PMID 23175235 DOI: 10.1002/Jcc.23166 |
0.339 |
|
| 2013 |
Lima PP, Nolasco MM, Paz FAA, Ferreira RAS, Longo RL, Malta OL, Carlos LD. Photo–Click Chemistry to Design Highly Efficient Lanthanide β-Diketonate Complexes Stable under UV Irradiation Chemistry of Materials. 25: 586-598. DOI: 10.1021/Cm303776X |
0.565 |
|
| 2012 |
de Souza MA, Correra TC, Riveros JM, Longo RL. Selectivity and mechanisms driven by reaction dynamics: the case of the gas-phase OH(-) + CH3ONO2 reaction. Journal of the American Chemical Society. 134: 19004-10. PMID 23106516 DOI: 10.1021/Ja3057166 |
0.337 |
|
| 2012 |
Ferreira RA, Nolasco M, Roma AC, Longo RL, Malta OL, Carlos LD. Dependence of the lifetime upon the excitation energy and intramolecular energy transfer rates: the 5D0Eu(III) emission case. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 12130-9. PMID 22887351 DOI: 10.1002/Chem.201201736 |
0.604 |
|
| 2012 |
Hora GCAd, Longo RL, Silva JBPd. Calculations of structures and reaction energy profiles of As2O3 and As4O6 species by quantum chemical methods International Journal of Quantum Chemistry. 112: 3320-3324. DOI: 10.1002/Qua.24196 |
0.36 |
|
| 2011 |
Silva JABd, Moreira FGB, Santos VMLd, Longo RL. On the hydrogen bond networks in the water-methanol mixtures: topology, percolation and small-world. Physical Chemistry Chemical Physics. 13: 6452-6461. PMID 21383999 DOI: 10.1039/C0Cp01802C |
0.307 |
|
| 2011 |
Silva JABd, Moreira FGB, Santos VMLd, Longo RL. Hydrogen bond networks in water and methanol with varying interaction strengths. Physical Chemistry Chemical Physics. 13: 593-603. PMID 21042611 DOI: 10.1039/C0Cp01204A |
0.334 |
|
| 2011 |
Rusu VH, Ramos MN, Longo RL. CCFOM and CCFDF models to interpret infrared intensities: A comparative study Journal of Molecular Structure. 993: 86-90. DOI: 10.1016/J.Molstruc.2010.10.050 |
0.351 |
|
| 2011 |
Moura RT, Malta OL, Longo RL. The chemical bond overlap plasmon as a tool for quantifying covalency in solid state materials and its applications to spectroscopy International Journal of Quantum Chemistry. 111: 1626-1638. DOI: 10.1002/Qua.22782 |
0.613 |
|
| 2010 |
Malta OL, Moura RT, Longo RL. Electron energy-loss cross sections for the chemical bond overlap plasmon Of the hydrogen molecule Journal of the Brazilian Chemical Society. 21: 476-480. DOI: 10.1590/S0103-50532010000300012 |
0.563 |
|
| 2010 |
Hernández-Muñoz LS, González FJ, González I, Goulart MOF, Abreu FCd, Ribeiro AS, Ribeiro RT, Longo RL, Navarro M, Frontana C. Revisiting the electrochemical formation, stability and structure of radical and biradical anionic structures in dinitrobenzenes Electrochimica Acta. 55: 8325-8335. DOI: 10.1016/J.Electacta.2010.04.030 |
0.315 |
|
| 2009 |
Souza BS, Brandão TAS, Orth ES, Roma AC, Longo RL, Bunton CA, Nome F. Hydrolysis of 8-quinolyl phosphate monoester: Kinetic and theoretical studies of the effect of lanthanide ions Journal of Organic Chemistry. 74: 1042-1053. PMID 19108613 DOI: 10.1021/Jo801870V |
0.312 |
|
| 2007 |
Leite ES, Santana SR, Hünenberger PH, Freitas LC, Longo RL. On the relative stabilities of the alkali cations 222 cryptates in the gas phase and in water-methanol solution. Journal of Molecular Modeling. 13: 1017-25. PMID 17632741 DOI: 10.1007/S00894-007-0213-8 |
0.732 |
|
| 2006 |
Vila Nova SP, Batista HJ, Alves S, De Mello Donegá C, Longo RL, De Sá GF, Thompson LC. Theoretical and experimental photophysical studies of the tris(4,4,4-trifluoro-1-(1-naphthyl)-1,3-butanedionate) (2,2′-bipiridyl)- europium(III) Journal of Luminescence. 118: 83-90. DOI: 10.1016/J.Jlumin.2005.07.001 |
0.404 |
|
| 2006 |
Fragoso WD, Donegá CdM, Longo RL. An ab initio cluster-in-lattice model for the luminescence of K2NbOF5 crystal Computational Materials Science. 38: 410-417. DOI: 10.1016/J.Commatsci.2006.03.009 |
0.387 |
|
| 2006 |
Santana SR, Borba FSL, Pedrosa GG, Cruz PAS, Longo RL. Silver Diffusion and Clustering in Oxyfluoride Glasses Investigated by Molecular Dynamics Simulations Journal of Computer-Aided Materials Design. 12: 101-110. DOI: 10.1007/S10820-006-9001-5 |
0.73 |
|
| 2006 |
Borba FSL, Santana SR, Longo RL. The Influence of the Interaction Potential on the Diffusion of Neutral Particles in Oxyfluoride Glasses Journal of Computer-Aided Materials Design. 12: 93-99. DOI: 10.1007/S10820-006-9000-6 |
0.724 |
|
| 2005 |
Hernandes MZ, Longo RL. AIPAR: ab initio parametrization of intermolecular potentials for computer simulations. Journal of Molecular Modeling. 11: 61-8. PMID 15592896 DOI: 10.1007/S00894-004-0222-9 |
0.327 |
|
| 2005 |
Braga CF, Longo RL. Structure of functionalized porous metal-organic frameworks by molecular orbital methods Journal of Molecular Structure-Theochem. 716: 33-38. DOI: 10.1016/J.Theochem.2004.08.037 |
0.314 |
|
| 2005 |
Farias PMAd, Santos BS, Longo RL, Ferreira R, Cesar CL. CdS nanoparticles: structural and energetical correlations Materials Chemistry and Physics. 89: 21-27. DOI: 10.1016/J.Matchemphys.2004.08.017 |
0.306 |
|
| 2005 |
Fragoso WD, Donegá CdM, Longo RL. A structural model of La2O3-Nb2O5-B2O3 glasses based upon infrared and luminescence spectroscopy and quantum chemical calculations Journal of Non-Crystalline Solids. 351: 3121-3126. DOI: 10.1016/J.Jnoncrysol.2005.07.031 |
0.335 |
|
| 2004 |
Gawryszewska P, Malta OL, Longo RL, Goncalves e Silva FR, Alves S, Mierzwicki K, Latajka Z, Pietraszkiewicz M, Legendziewicz J. Experimental and theoretical study of the photophysics and structures of europium cryptates incorporating 3,3'-bi-isoquinoline-2,2'-dioxide. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 1577-84. PMID 15535557 DOI: 10.1002/Cphc.200400036 |
0.623 |
|
| 2004 |
Hernandes MZ, Longo R, Coutinho K, Canuto S. Solute relaxation on the solvatochromism of ortho-betaine dyes. A sequential Monte Carlo/quantum mechanics study Physical Chemistry Chemical Physics. 6: 2088-2092. DOI: 10.1039/B315806C |
0.345 |
|
| 2004 |
Carvalho CEM, Silva MAA, Brinn IM, Pinto MdCR, Pinto AV, Schripsema J, Longo RL. Tautomerization in the ground and first excited singlet states of phenyl-lapimidazole Journal of Luminescence. 109: 207-214. DOI: 10.1016/J.Jlumin.2004.02.009 |
0.34 |
|
| 2004 |
Goulart MOF, Lisboa MBS, Cavalcanti JCM, Tonholo J, Navarro M, Soares NA, Longo RL. Electroreduction of halogenated fumaric esters: a combined electrochemical and computational investigation Journal of Electroanalytical Chemistry. 567: 67-75. DOI: 10.1016/J.Jelechem.2003.11.061 |
0.32 |
|
| 2004 |
Farias PMA, Longo RL. Quantum interference effects in the Br2 electronic predissociation: Dependence upon the molecular properties International Journal of Quantum Chemistry. 97: 944-948. DOI: 10.1002/Qua.10814 |
0.3 |
|
| 2003 |
Hernandes MZ, da Silva JB, Longo RL. Chemometric study of liquid water simulations. I. The parameters of the TIP4P model potential. Journal of Computational Chemistry. 24: 973-81. PMID 12720318 DOI: 10.1002/Jcc.10273 |
0.309 |
|
| 2003 |
Antunes R, Batista H, Srivastava RM, Thomas G, Araújo CC, Longo RL, Magalhães H, Leão MBC, Pavão AC. Synthesis, characterization and interaction mechanism of new oxadiazolo-phthalimides as peripheral analgesics. IV☆ Journal of Molecular Structure. 660: 1-13. DOI: 10.1016/S0022-2860(03)00418-6 |
0.31 |
|
| 2003 |
Fragoso WD, Donegá CdM, Longo RL. Luminescence and energy transfer in La2O3-Nb2O5-B2O3:M3+ (M=Bi, Eu, Dy) glasses Journal of Luminescence. 105: 97-103. DOI: 10.1016/S0022-2313(03)00113-3 |
0.364 |
|
| 2003 |
Meyer E, Joussef AC, Gallardo H, Bortoluzzi AJ, Longo RL. 1,5-Type nonbonded O⋯S and S⋯S interactions in (acylimino) and (thioacylimino)benzothiazoline systems. Crystal structures and theoretical calculations Tetrahedron. 59: 10187-10193. DOI: 10.1016/J.Tet.2003.10.066 |
0.34 |
|
| 2002 |
Sensato FR, Custodio R, Cass QB, Longo E, Hernandes MZ, Longo RL, Andrés J. The use of the generator coordinate method for designing basis set. Application to oxo-diperoxo molybdenum complexes Journal of Molecular Structure-Theochem. 589: 251-264. DOI: 10.1016/S0166-1280(02)00202-6 |
0.352 |
|
| 2001 |
Sensato FR, Cass QB, Longo E, Zukerman-Schpector J, Custodio R, Andrés J, Hernandes MZ, Longo RL. Molecular structure of the molybdenum oxo-diperoxo compound MoO(O(2))(2)(OPy)(H(2)O): a computational and X-ray study. Inorganic Chemistry. 40: 6022-5. PMID 11681920 DOI: 10.1021/Ic010020H |
0.36 |
|
| 2001 |
Longo RL, Nunes RL, Bieber LW. On the origin of the regioselective hydrolysis of a naphthoquinone diacetate: a molecular orbital study Journal of the Brazilian Chemical Society. 12: 52-56. DOI: 10.1590/S0103-50532001000100007 |
0.308 |
|
| 2000 |
Gonçalves e Silva FR, Longo R, Malta OL, Piguet C, Bünzli JG. Theoretical modelling of the low quantum yield observed in an Eu(III) triple helical complex with a tridentate aromatic ligand Physical Chemistry Chemical Physics. 2: 5400-5403. DOI: 10.1039/B005624N |
0.604 |
|
| 2000 |
Silva FRGe, Menezes JFS, Rocha GB, Alves S, Brito HF, Longo RL, Malta OL. Emission quantum yield of europium (III) mixed complexes with thenoyltrifluoroacetonate and some aromatic ligands Journal of Alloys and Compounds. 303: 364-370. DOI: 10.1016/S0925-8388(00)00642-3 |
0.612 |
|
| 2000 |
Sá GFd, Malta OL, Donegá CdM, Simas AM, Longo RL, Santa-Cruz PA, Silva EFd. Spectroscopic properties and design of highly luminescent lanthanide coordination complexes Coordination Chemistry Reviews. 196: 165-195. DOI: 10.1016/S0010-8545(99)00054-5 |
0.593 |
|
| 2000 |
Longo R, Silva FRGe, Malta OL. A theoretical study of the energy-transfer process in [Eu⊂bpy.bpy.bpy]3+ cryptates: a ligand-to-metal charge-transfer state? Chemical Physics Letters. 328: 67-74. DOI: 10.1016/S0009-2614(00)00898-8 |
0.616 |
|
| 1999 |
Malta OL, Silva FRGe, Longo R. On the dependence of the luminescence intensity of rare-earth compounds with pressure: a theoretical study of Eu(TTF)32H2O in polymeric solution and crystalline phases Chemical Physics Letters. 307: 518-526. DOI: 10.1016/S0009-2614(99)00556-4 |
0.61 |
|
| 1998 |
Batista HJ, de Andrade AV, Longo RL, Simas AM, de Sá GF, Ito NK, Thompson LC. Synthesis, X-ray Structure, Spectroscopic Characterization, and Theoretical Prediction of the Structure and Electronic Spectrum of Eu(btfa)(3).bipy and an Assessment of the Effect of Fluorine as a beta-Diketone Substituent on the Ligand-Metal Energy Transfer Process. Inorganic Chemistry. 37: 3542-3547. PMID 11670441 DOI: 10.1021/Ic971602V |
0.339 |
|
| 1998 |
Andrade AVMd, NBdCJ, Simas AM, Longo RL, Malta OL, Sá GFd. Uma metodologia para o projeto teórico de conversores moleculares de luz QuíMica Nova. 21: 51-59. DOI: 10.1590/S0100-40421998000100009 |
0.369 |
|
| 1997 |
Andrade AVMD, NBDC, Longo RL, Malta OL, Simas AM, Sá GFD. Modeling Lanthanide Complexes: Towards the Theoretical Design of Light Conversion Molecular Devices Molecular Engineering. 7: 293-308. DOI: 10.1023/A:1008227001656 |
0.627 |
|
| 1997 |
Andrade AVMd, Costa NBd, Malta OL, Longo RL, Simas AM, Sá GFd. Excited state calculations of Europium(III) complexes Journal of Alloys and Compounds. 250: 412-416. DOI: 10.1016/S0925-8388(96)02560-1 |
0.618 |
|
| 1997 |
Batista HJ, Andrade AVMd, Longo RL, Simas AM, Sá GFd, Thompson LC. Synthesis, crystal structure determination and theoretical prediction of the structure and electronic spectrum of Eu(btfa)3bipy Journal of Luminescence. 159-161. DOI: 10.1016/S0022-2313(96)00158-5 |
0.332 |
|
| 1996 |
Andrade AVMd, Longo RL, Simas AM, Sá GFd. Theoretical model for the prediction of electronic spectra of lanthanide complexes Journal of the Chemical Society, Faraday Transactions. 92: 1835-1839. DOI: 10.1039/Ft9969201835 |
0.36 |
|
| 1996 |
Srivastava RM, Braga M, Longo R, Magalhães NSS. Ab initio and semiempirical (AM1) structural studies of O-(2,2,2-trichloro-1-hydroxyethyl)-benzamidoxime and its hydrogen bonded dimer Journal of Molecular Structure. 375: 267-272. DOI: 10.1016/0022-2860(95)09058-4 |
0.323 |
|
| 1992 |
Freitas LCG, Longo RL, Simas AM. Reaction-field–supermolecule approach to calculation of solvent effects Journal of the Chemical Society, Faraday Transactions. 88: 189-193. DOI: 10.1039/Ft9928800189 |
0.322 |
|
| 1990 |
Longo RL, Freitas LCG. Adenine–Thymine proton relay: Electric field and environmental effects on point mutation DNA International Journal of Quantum Chemistry. 38: 35-44. DOI: 10.1002/Qua.560381707 |
0.316 |
|
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