| Year |
Citation |
Score |
| 2023 |
de Almeida JM, Ferreira CC, Bandeira L, Cunha RD, Coutinho-Neto MD, Homem-De-Mello P, Orestes E, Nascimento RSV. Synergistic Interaction of Hyperbranched Polyglycerols and Cetyltrimethylammonium Bromide for Oil/Water Interfacial Tension Reduction: A Molecular Dynamics Study. The Journal of Physical Chemistry. B. 127: 9356-9365. PMID 37871185 DOI: 10.1021/acs.jpcb.3c01707 |
0.693 |
|
| 2023 |
Souza JR, Curutchet C, Aoto YA, Homem-De-Mello P. Benchmarking DFT functionals for photophysics of pyranoflavylium cations. Journal of Molecular Graphics & Modelling. 122: 108460. PMID 37004417 DOI: 10.1016/j.jmgm.2023.108460 |
0.357 |
|
| 2022 |
Carneiro LM, Keppler AF, Ferreira FF, Homem-de-Mello P, Bartoloni FH. Mechanisms for the Deactivation of the Electronic Excited States of α-(2-Hydroxyphenyl)--phenylnitrone: From Intramolecular Proton and Charge Transfer to Structure Twisting and Aggregation. The Journal of Physical Chemistry. B. 126: 7373-7384. PMID 36103309 DOI: 10.1021/acs.jpcb.2c03924 |
0.664 |
|
| 2020 |
de Souza JR, de Moraes MMF, Aoto YA, Homem-de-Mello P. Can one use the electronic absorption spectra of metalloporphyrins to benchmark electronic structure methods? A case study on the cobalt porphyrin. Physical Chemistry Chemical Physics : Pccp. 22: 23886-23898. PMID 33073830 DOI: 10.1039/d0cp04699j |
0.714 |
|
| 2020 |
do Carmo AL, Bettanin F, Oliveira Almeida M, Pantaleão SQ, Rodrigues T, Homem-de-Mello P, Honorio KM. Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein. Frontiers in Chemistry. 8: 235. PMID 32309275 DOI: 10.3389/Fchem.2020.00235 |
0.741 |
|
| 2020 |
Carvalho Fd, Coutinho-Neto MD, Bartoloni FH, Homem-de-Mello P. Substitution by tert-butyl groups facilitates excited state proton transfer in hydroxylated triphenylimidazole frameworks more than it does for oxazole and thiazole analogs Arkivoc. 2020: 61-76. DOI: 10.24820/Ark.5550190.P011.112 |
0.375 |
|
| 2020 |
Souza TFMd, Antonio FCT, Homem-de-Mello P, Ribeiro AO. Unsymmetrical zinc (II) phthalocyanine and zinc (II) naphthalocyanine with 2,3-Dicyano-1,4-diphenylnaphthalene precursor Dyes and Pigments. 172: 107824. DOI: 10.1016/J.Dyepig.2019.107824 |
0.378 |
|
| 2020 |
Salvador MA, Antonio FCT, Silva GDd, Bartoloni FH, Orestes E, Coutinho-Neto MD, Homem-de-Mello P. On the radicalar properties of graphene fragments: double-hybrid DFT and perturbation theory approaches Theoretical Chemistry Accounts. 139: 1-11. DOI: 10.1007/S00214-020-02632-W |
0.386 |
|
| 2018 |
de Carvalho F, Coutinho Neto MD, Bartoloni FH, Homem-de-Mello P. Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems. Molecules (Basel, Switzerland). 23. PMID 29883373 DOI: 10.3390/Molecules23051231 |
0.773 |
|
| 2018 |
Aono CM, Coutinho-Neto MD, Miotto R, Homem-de-Mello P. CAHM1: A Theory-Based Proposal for a New DSSC D–A−π–A Dye Journal of Physical Chemistry C. 122: 27256-27262. DOI: 10.1021/Acs.Jpcc.8B09372 |
0.44 |
|
| 2018 |
Galli A, Caetano J, Homem-de-Mello P, Silva ABFd, Ferreira AG, Almeida SVd, Machado SAS. A mechanistic study of the electrochemical behavior of pendimethalin herbicide Journal of Electroanalytical Chemistry. 826: 157-163. DOI: 10.1016/J.Jelechem.2018.08.038 |
0.348 |
|
| 2018 |
Lima TS, A. La-Scalea M, Raminelli C, Simões FR, Franco E, da Silva GD, Salvador MA, Homem-de-Mello P, de Oliveira HPM, Codognoto L. Voltammetric determination of chlorothalonil and its respective reduction mechanism studied by density functional theory Journal of Solid State Electrochemistry. 23: 553-563. DOI: 10.1007/S10008-018-4162-1 |
0.304 |
|
| 2017 |
Salvador MA, Sousa CP, Morais S, Lima-Neto P, Correia AN, Homem-de-Mello P. Evaluation of degradation mechanism of chlorhexidine by means of Density Functional Theory calculations. Computational Biology and Chemistry. 71: 82-88. PMID 28987295 DOI: 10.1016/J.Compbiolchem.2017.10.001 |
0.381 |
|
| 2017 |
Salatino CT, Melo DU, Yoshitake AM, Sgarbi LS, Homem-de-Mello P, Bartoloni FH, Ciscato LF. Mechanistic model for the firefly luciferin regeneration in biomimetic conditions: a model for the in vivo process? Organic & Biomolecular Chemistry. PMID 28379268 DOI: 10.1039/C7Ob00603A |
0.715 |
|
| 2017 |
Bettanin F, Antonio FC, Honorio KM, Homem-de-Mello P. Quantum-chemistry descriptors for photosensitizers based on macrocycles. Chemical Biology & Drug Design. 89: 207-220. PMID 28205402 DOI: 10.1111/Cbdd.12791 |
0.785 |
|
| 2017 |
Souza Td, Antonio F, Zanotto M, Homem-de-Mello P, Ribeiro A. Photophysical and Photochemical Properties and Aggregation Behavior of Phthalocyanine and Naphthalocyanine Derivatives Journal of the Brazilian Chemical Society. DOI: 10.21577/0103-5053.20170215 |
0.734 |
|
| 2017 |
Buck STG, Bettanin F, Orestes E, Homem-de-Mello P, Imasato H, Viana RB, Perussi JR, da Silva ABF. Photodynamic Efficiency of Xanthene Dyes and Their Phototoxicity against a Carcinoma Cell Line: A Computational and Experimental Study Journal of Chemistry. 2017: 1-9. DOI: 10.1155/2017/7365263 |
0.775 |
|
| 2017 |
Sousa CP, Oliveira RCd, Freire TM, Fechine PBA, Salvador MA, Homem-de-Mello P, Morais S, Lima-Neto Pd, Correia AN. Chlorhexidine digluconate on chitosan-magnetic iron oxide nanoparticles modified electrode: Electroanalysis and mechanistic insights by computational simulations Sensors and Actuators B-Chemical. 240: 417-425. DOI: 10.1016/J.Snb.2016.08.181 |
0.32 |
|
| 2017 |
Bettanin F, Jurinovich S, Caprasecca S, Mennucci B, Homem-de-Mello P. A quantum chemical investigation of the solvatochromism of a phthalocyanine within a lipid bilayer: Comparison between continuum and atomistic models Journal of Photochemistry and Photobiology a: Chemistry. 344: 42-48. DOI: 10.1016/J.Jphotochem.2017.04.033 |
0.764 |
|
| 2016 |
Ramos LD, Sampaio RN, de Assis FF, de Oliveira KT, Homem-de-Mello P, Patrocinio AO, Frin KP. Contrasting photophysical properties of rhenium(i) tricarbonyl complexes having carbazole groups attached to the polypyridine ligand. Dalton Transactions (Cambridge, England : 2003). PMID 27192346 DOI: 10.1039/C6Dt01112H |
0.459 |
|
| 2015 |
de Faria PA, Bettanin F, Cunha RL, Paredes-Gamero EJ, Homem-de-Mello P, Nantes IL, Rodrigues T. Cytotoxicity of phenothiazine derivatives associated with mitochondrial dysfunction: a structure-activity investigation. Toxicology. 330: 44-54. PMID 25686698 DOI: 10.1016/J.Tox.2015.02.004 |
0.758 |
|
| 2015 |
Franco-Junior E, Lopes ACG, Suffredini HB, Homem-De-Mello P. Simple model to study heterogeneous electrocatalysts Journal of Power Sources. 273: 360-367. DOI: 10.1016/J.Jpowsour.2014.09.099 |
0.307 |
|
| 2015 |
Fernandes LS, Homem-De-Mello P, De Lima EC, Honorio KM. Rational design of molecularly imprinted polymers for recognition of cannabinoids: A structure-property relationship study European Polymer Journal. 71: 364-371. DOI: 10.1016/J.Eurpolymj.2015.08.005 |
0.616 |
|
| 2015 |
Bettanin F, de Carvalho Fontinelles TA, Maciel CD, Dias LG, Coutinho-Neto MD, Homem-de-Mello P. Aggregation of photosensitizers: the role of dispersion and solvation on dimer formation energetics Theoretical Chemistry Accounts. 134: 1-11. DOI: 10.1007/S00214-015-1732-5 |
0.777 |
|
| 2014 |
Lucas FW, Mascaro LH, Fill TP, Rodrigues-Filho E, Franco-Junior E, Homem-de-Mello P, de Lima-Neto P, Correia AN. Diclofenac on boron-doped diamond electrode: from electroanalytical determination to prediction of the electrooxidation mechanism with HPLC-ESI/HRMS and computational simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 5645-54. PMID 24806390 DOI: 10.1021/La4044123 |
0.318 |
|
| 2014 |
Carvalho F, Liandra-Salvador E, Bettanin F, Souza JS, Homem-De-Mello P, Polo AS. Synthesis, characterization and photoelectrochemical performance of a tris-heteroleptic ruthenium(II) complex having 4,7-dimethyl-1,10-phenanthroline Inorganica Chimica Acta. 414: 145-152. DOI: 10.1016/J.Ica.2014.02.002 |
0.773 |
|
| 2013 |
Cardoso DR, Scurachio RS, Santos WG, Homem-De-Mello P, Skibsted LH. Riboflavin-photosensitized oxidation is enhanced by conjugation in unsaturated lipids Journal of Agricultural and Food Chemistry. 61: 2268-2275. PMID 23402498 DOI: 10.1021/Jf305280X |
0.306 |
|
| 2013 |
Ribeiro FWP, Oliveira TMBF, da Silva FLF, Mendonça GLF, Homem-de-Mello P, Becker H, de Lima-Neto P, Correia AN, Freire VN. Sensitive voltammetric responses and mechanistic insights into the determination of residue levels of endosulfan in fresh foodstuffs and raw natural waters Microchemical Journal. 110: 40-47. DOI: 10.1016/J.Microc.2013.01.005 |
0.318 |
|
| 2011 |
Maltarollo VG, Homem-De-Mello P, Honorio KM. Role of physicochemical properties in the activation of peroxisome proliferator-activated receptor δ Journal of Molecular Modeling. 17: 2549-2558. PMID 21207086 DOI: 10.1007/S00894-010-0935-X |
0.593 |
|
| 2010 |
Huvaere K, Cardoso DR, Homem-de-Mello P, Westermann S, Skibsted LH. Light-induced oxidation of unsaturated lipids as sensitized by flavins. The Journal of Physical Chemistry. B. 114: 5583-93. PMID 20377218 DOI: 10.1021/Jp9121744 |
0.316 |
|
| 2010 |
Maltarollo VG, Homem-De-mello P, Honório KM. Theoretical study on the molecular and electronic properties of some substances used for diabetes mellitus treatment Journal of Molecular Modeling. 16: 799-804. PMID 20012454 DOI: 10.1007/S00894-009-0627-6 |
0.58 |
|
| 2009 |
de Toledo RA, Santos MC, Suffredini HB, Homem-de-Mello P, Honorio KM, Mazo LH. DFT and electrochemical studies on nortriptyline oxidation sites Journal of Molecular Modeling. 15: 945-952. PMID 19172315 DOI: 10.1007/S00894-009-0451-Z |
0.573 |
|
| 2008 |
Arroio A, Honório KM, Homem-de-Mello P, Weber KC, Da Silva ABF. The teaching practice in the chemistry graduate student learning | A prática docente na formação do pós-graduando em química Quimica Nova. 31: 1888-1891. DOI: 10.1590/S0100-40422008000700050 |
0.524 |
|
| 2007 |
Caetano J, Homem-de-Mello P, da Silva ABF, Ferreira AG, Avaca LA. Studies of the electrochemical reduction of atrazine on a mercury electrode in acid medium: An electrochemical and NMR approach Journal of Electroanalytical Chemistry. 608: 47-51. DOI: 10.1016/J.Jelechem.2007.05.010 |
0.346 |
|
| 2007 |
Homem-De-Mello P, Mennucci B, Tomasi J, Da Silva ABF. Cationic dye dimers: A theoretical study Theoretical Chemistry Accounts. 118: 305-314. DOI: 10.1007/S00214-007-0261-2 |
0.594 |
|
| 2006 |
Barbosa LR, Caetano W, Itri R, Homem-de-Mello P, Santiago PS, Tabak M. Interaction of phenothiazine compounds with zwitterionic lysophosphatidylcholine micelles: Small angle X-ray scattering, electronic absorption spectroscopy, and theoretical calculations. The Journal of Physical Chemistry. B. 110: 13086-93. PMID 16805618 DOI: 10.1021/Jp056486T |
0.367 |
|
| 2006 |
Arroio A, Honório KM, Weber KC, Homem-de-Mello P, Gambardella MTdP, Silva ABFd. O show da Química: motivando o interesse científico QuíMica Nova. 29: 173-178. DOI: 10.1590/S0100-40422006000100031 |
0.563 |
|
| 2006 |
Arroio A, Honório KM, Weber KC, Homem-De-Mello P, Do Prado Gambardella MT, Da Silva ABF. The chemistry show: Motivating the scientific interest | O show da química: Motivando o interesse científico Quimica Nova. 29: 173-178. |
0.478 |
|
| 2005 |
Cardoso DR, Homem-de-Mello P, Olsen K, da Silva AB, Franco DW, Skibsted LH. Deactivation of triplet-excited riboflavin by purine derivatives: important role of uric acid in light-induced oxidation of milk sensitized by riboflavin. Journal of Agricultural and Food Chemistry. 53: 3679-84. PMID 15853419 DOI: 10.1021/Jf048347Z |
0.673 |
|
| 2005 |
Arroio A, Honório KM, Weber KC, Homem-de-Mello P, Silva ABFd. O ensino de química quântica e o computador na perspectiva de projetos QuíMica Nova. 28: 360-363. DOI: 10.1590/S0100-40422005000200032 |
0.555 |
|
| 2005 |
Suffredini HB, Santos MC, De Souza D, Codognoto L, Homem-De-Mello P, Honório KM, Da Silva ABF, Machado SAS, Avaca LA. Electrochemical behavior of nicotine studied by voltammetric techniques at boron-doped diamond electrodes Analytical Letters. 38: 1587-1599. DOI: 10.1081/Al-200065801 |
0.526 |
|
| 2005 |
Homem-de-Mello P, Mennucci B, Tomasi J, Da Silva ABF. The effects of solvation in the theoretical spectra of cationic dyes Theoretical Chemistry Accounts. 113: 274-280. DOI: 10.1007/S00214-005-0668-6 |
0.587 |
|
| 2005 |
Arroio A, Honório KM, Weber KC, Homem-de-Mello P, Da Silva ABF. The teaching of quantum chemistry and the computer from the perspective projects | O ensino de química quântica e o computador na perspectiva de projetos Quimica Nova. 28: 360-363. |
0.49 |
|
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