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The use of quantum-mechanical methods to study the bonds and chemical interactions in self-organizing systems with applications in catalysis, medicinal chemistry, electrochromism, energy storage and conversion

Abstract

This research project aims to use theoretical methods to study the structure, weak interactions, reactivity, physical properties and nature of chemical bonds in molecules, complexes, supramolecular systems and self-organized nanostructures. Two important classes of compounds are considered: 1) supramolecular chemistry of pyrazole complexes; 2) natural compounds and metal oxides for energy conversion and storage and/or that can also show electrochromic proprierties. The research project can be developed with an inter and multidisciplinary character, with collaborations that could result in theoretical/experimental works. In order to understand the processes involved in new materials with properties suitable for use in catalysis, medicine, electrochromism, and energy storage and conversion (microbatteries lithium), should be considered the effects due to charge transport, as well as electronic transfer, morphology, interfaces, electronic structure, chemical bonds and interactions responsible for self-organization of materials. For this purpose will be employed ab initio and DFT methods in conjunction with effective core potentials for transition metals. Among the techniques to be used include the following methods: NBO (Natural Bond Orbitals), AIM (Atoms in Molecules), ELF (Electron Localization function), EDA (Energy Decomposition Analysis), CDA (Charge Decomposition Analysis), HOMA (Harmonic Oscillator Model of Aromaticity), NICS (Nucleus Independent Chemical Shift), NRT (Natural Resonance Theory), SAPT (Symmetry-Adapted Perturbation Theory), among others. (AU)

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Scientific publications (49)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
ORENHA, RENATO PEREIRA; PEIXOTO, LETICIA BERMUDES; CARAMORI, GIOVANNI FINOTO; PIOTROWSKI, MAURICIO JEOMAR; DE ARAUJO BATISTA, KRYS ELLY; CONTRERAS-GARCIA, JULIA; CARDENAS, CARLOS; MORGON, NELSON HENRIQUE; MENDIZABAL, FERNANDO; TAME PARREIRA, RENATO LUIS. Designing boron and metal complexes for fluoride recognition: a computational perspective. Physical Chemistry Chemical Physics, v. 23, n. 39, p. 22768-22778, OCT 13 2021. Web of Science Citations: 0.
ORENHA, RENATO PEREIRA; CINTRA, CLAUDIA HABER; LUCAS NATAL, MARIA LAURA; COLACO, MATHEUS CACHOEIRA; CARAMORI, GIOVANNI FINOTO; PIOTROWSKI, MAURICIO JEOMAR; TAME PARREIRA, RENATO LUIS. Design of supramolecular systems capable of recognizing anions uniquely by aliphatic C-HMIDLINE HORIZONTAL ELLIPSISanion hydrogen bonds: theoretical insights. NEW JOURNAL OF CHEMISTRY, SEP 2021. Web of Science Citations: 0.
GALEMBECK, SERGIO E.; ORENHA, RENATO P.; MADEIRA, RAFAEL M.; PEIXOTO, LETICIA B.; PARREIRA, RENATO L. T. Through-Bond and Through-Space Interactions in [2,2]Cyclophanes. Journal of the Brazilian Chemical Society, v. 32, n. 7, p. 1447-1455, JUL 2021. Web of Science Citations: 0.
NERES, NAYARA B. R.; MONTAGNINI, DANIEL; FERREIRA, DANIELE S.; PARREIRA, RENATO L. T.; ORENHA, RENATO P.; LIMA, THAIS C.; MOLINA, EDUARDO F.; CUNHA, WILSON R.; SILVA, MARCIO L. A.; ESPERANDIM, VIVIANE R. In Vivo and in Silico Trypanocidal Activity Evaluation of (-)-Cubebin Encapsulated in PLGA Microspheres as Potential Treatment in Acute Phase. CHEMISTRY & BIODIVERSITY, v. 18, n. 6 JUN 2021. Web of Science Citations: 0.
ORENHA, RENATO PEREIRA; DA SILVA, VANESSA BORGES; CARAMORI, GIOVANNI FINOTO; PIOTROWSKI, MAURICIO JEOMAR; NAGURNIAK, GLAUCIO REGIS; PARREIRA, RENATO LUIS TAME. The design of anion-pi interactions and hydrogen bonds for the recognition of chloride, bromide and nitrate anions. Physical Chemistry Chemical Physics, v. 23, n. 19, p. 11455-11465, MAY 21 2021. Web of Science Citations: 0.
ORENHA, RENATO PEREIRA; MORGON, NELSON HENRIQUE; SILVA, GRAZIELE CAPPATO GUERRA; CARAMORI, GIOVANNI FINOTO; PARREIRA, RENATO LUIS TAME. The pi-donor/acceptor trans effect on NO release in ruthenium nitrosyl complexes: a computational insight. NEW JOURNAL OF CHEMISTRY, v. 45, n. 20 APR 2021. Web of Science Citations: 0.
ORENHA, RENATO PEREIRA; SILVA, GRAZIELE CAPPATO GUERRA; MORGON, NELSON HENRIQUE; CARAMORI, GIOVANNI FINOTO; PARREIRA, RENATO LUIS TAME. Can the relative positions (cis-trans) of ligands really modulate the coordination of NO in ruthenium nitrosyl complexes?. NEW JOURNAL OF CHEMISTRY, v. 45, n. 3, p. 1658-1666, JAN 21 2021. Web of Science Citations: 0.
SILVA, EDER HENRIQUE DA; ORENHA, RENATO PEREIRA; MUNOZ-CASTRO, ALVARO; CARAMORI, GIOVANNI FINOTO; COLACO, MATHEUS CACHOEIRA; SILVA, GRAZIELE CAPATTO GUERRA; PARREIRA, RENATO LUIS TAME. Theoretical study of chloride complexes with hybrid macrocycles. NEW JOURNAL OF CHEMISTRY, v. 45, n. 1, p. 463-470, JAN 7 2021. Web of Science Citations: 0.
CARAMORI, GIOVANNI F.; OSTROM, INA; ORTOLAN, ALEXANDRE O.; NAGURNIAK, GLAUCIO R.; BESEN, VITOR M.; MUNOZ-CASTRO, ALVARO; ORENHA, RENATO P.; PARREIRA, RENATO L. T.; GALEMBECK, SERGIO E. The usefulness of energy decomposition schemes to rationalize host-guest interactions. DALTON TRANSACTIONS, v. 49, n. 48, p. 17457-17471, DEC 28 2020. Web of Science Citations: 0.
ORENHA, RENATO PEREIRA; NAGURNIAK, GLAUCIO REGIS; COLACO, MATHEUS CACHOEIRA; CARAMORI, GIOVANNI FINOTO; PIOTROWSKI, MAURICIO JEOMAR; DE ARAUJO BATISTA, KRYS ELLY; MUNOZ-CASTRO, ALVARO; DE ALMEIDA SILVA, BRENO; ESTEVES, BENJAMIM JOSE; PARREIRA, RENATO LUIS TAME. The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations. Physical Chemistry Chemical Physics, v. 22, n. 41, p. 23795-23803, NOV 7 2020. Web of Science Citations: 0.
NAGURNIAK, GLAUCIO R.; PIOTROWSKI, MAURICIO J.; MUNOZ-CASTRO, ALVARO; CASCALDI, JOAO B. S.; PARREIRA, RENATO L. T.; CARAMORI, GIOVANNI F. What is the driving force behind molecular triangles and their guests? A quantum chemical perspective about host-guest interactions. Physical Chemistry Chemical Physics, v. 22, n. 34, p. 19213-19222, SEP 14 2020. Web of Science Citations: 2.
OSTROM, INA; ORTOLAN, ALEXANDRE O.; CARAMORI, GIOVANNI F.; MASCAL, MARK; MUNOZ-CASTRO, ALVARO; PARREIRA, RENATO L. T. In Silico Design of Cylindrophanes: The Role of Functional Groups in a Fluoride Selective Host. ChemPhysChem, v. 21, n. 17 AUG 2020. Web of Science Citations: 0.
COIMBRA, DANIEL F.; CINTRA, CLAUDIA H.; LOURENCO, LUIZ C. L.; PARREIRA, RENATO L. T.; ORENHA, RENATO P.; CARAMORI, GIOVANNI F. Are DFT Methods Able to Predict Reduction Potentials of Ruthenium Nitrosyl Complexes Accurately?. Journal of Physical Chemistry A, v. 124, n. 30, p. 6186-6192, JUL 30 2020. Web of Science Citations: 0.
ORENHA, RENATO PEREIRA; GUERRA SILVA, GRAZIELE CAPPATO; DE LIMA BATISTA, ANA PAULA; SAMPAIO DE OLIVEIRA FILHO, ANTONIO GUSTAVO; MORGON, NELSON HENRIQUE; DA SILVA, VANESSA BORGES; PEREIRA FURTADO, SAULO SAMUEL; CARAMORI, GIOVANNI FINOTO; PIOTROWSKI, MAURICIO JEOMAR; TAME PARREIRA, RENATO LUIS. Tracking the role oftrans-ligands in ruthenium-NO bond lability: computational insight. NEW JOURNAL OF CHEMISTRY, v. 44, n. 27, p. 11448-11456, JUL 21 2020. Web of Science Citations: 0.
ALMEIDA, CAROLANE M.; DE CARVALHO, JOAO G. M.; FUJIMORI, MAHMI; FRANCA, EDUARDO L.; HONORIO-FRANCA, ADENILDA C.; PARREIRA, RENATO L. T.; ORENHA, RENATO P.; GATTO, CLAUDIA C. Structural investigation of group 10 metal complexes with thiosemicarbazone: crystal structure, mass spectrometry, Hirshfeld surface and in vitro antitumor activity. STRUCTURAL CHEMISTRY, v. 31, n. 5 JUN 2020. Web of Science Citations: 0.
DE AMORIM, V, RAIRISSON; BATISTA, KRYS E. A.; NAGURNIAK, GLAUCIO R.; ORENHA, RENATO P.; PARREIRA, RENATO L. T.; PIOTROWSKI, MAURICIO J. CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation. DALTON TRANSACTIONS, v. 49, n. 19, p. 6407-6417, MAY 21 2020. Web of Science Citations: 0.
ORENHA, RENATO PEREIRA; CINTRA, CLAUDIA HABER; PEIXOTO, LETICIA BERMUDES; DA SILVA, EDER HENRIQUE; CARAMORI, GIOVANNI FINOTO; ORTOLAN, ALEXANDRE OSMAR; PIOTROWSKI, MAURICIO JEOMAR; TAME PARREIRA, RENATO LUIS. The anionic recognition mechanism based on polyol and boronic acid receptors. NEW JOURNAL OF CHEMISTRY, v. 44, n. 14, p. 5564-5571, APR 14 2020. Web of Science Citations: 0.
COIMBRA, DANIEL F.; ORTOLAN, ALEXANDRE O.; ORENHA, RENATO P.; DA SILVA, VANESSA B.; PARREIRA, RENATO L. T.; CARAMORI, GIOVANNI F. Shedding light on the bonding situation of triangular and square heterometallic clusters: computational insight. NEW JOURNAL OF CHEMISTRY, v. 44, n. 13, p. 5079-5087, APR 7 2020. Web of Science Citations: 0.
MELETI, VANDERLISA RITA; ESPERANDIM, VIVIANE RODRIGUES; BOCALON FLAUZINO, LUZIO GABRIEL; PRIZANTELLI, ANNA HELENA; DE LIMA PAULA, LUCAS ANTONIO; MAGALHAES, LIZANDRA GUIDI; CUNHA, WILSON ROBERTO; LAURENTIZ, ROSANGELA DA SILVA; DA ROCHA PISSURNO, ANA PAULA; DHAMMIKA NANAYAKKARA, N. P.; PEREIRA, ANA CAROLINA; BASTOS, JAIRO KENUPP; TAME PARREIRA, RENATO LUIS; ORENHA, RENATO PEREIRA; ANDRADE E SILVA, MARCIO LUIS. (+/-)-Licarin A and its semi-synthetic derivatives: In vitro and in silico evaluation of trypanocidal and schistosomicidal activities. Acta Tropica, v. 202, FEB 2020. Web of Science Citations: 0.
VIEIRA, TATIANA M.; ORENHA, RENATO P.; CREVELIN, EDUARDO J.; FURTADO, SAULO S. P.; VESSECCHI, RICARDO; PARREIRA, RENATO L. T.; CROTTI, ANTONIO E. M. Electrospray ionization tandem mass spectrometry of monoketone curcuminoids. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, FEB 2020. Web of Science Citations: 0.
ORENHA, RENATO PEREIRA; MORGON, NELSON HENRIQUE; CONTRERAS-GARCIA, JULIA; SILVA, GRAZIELE CAPPATO GUERRA; NAGURNIAK, GLAUCIO REGIS; PIOTROWSKI, MAURICIO JEOMAR; CARAMORI, GIOVANNI FINOTO; MUNOZ-CASTRO, ALVARO; PARREIRA, RENATO LUIS TAME. How does the acidic milieu interfere in the capability of ruthenium nitrosyl complexes to release nitric oxide?. NEW JOURNAL OF CHEMISTRY, v. 44, n. 3, p. 773-779, JAN 21 2020. Web of Science Citations: 0.
NAGURNIAK, GLAUCIO REGIS; TEIXEIRA PERACA, CARINA DE SOUZA; ORENHA, RENATO PEREIRA; TAME PARREIRA, RENATO LUIS; PIOTROWSKI, MAURICIO JEOMAR. Double-bond elucidation for arsagermene with a tricoordinate germanium center: a theoretical survey. NEW JOURNAL OF CHEMISTRY, v. 43, n. 39, p. 15681-15690, OCT 21 2019. Web of Science Citations: 0.
MUCELINI, JOHNATAN; OSTROM, INA; ORTOLAN, ALEXANDRE O.; ANDRIANI, KARLA F.; CARAMORI, GIOVANNI F.; PARREIRA, RENATO L. T.; LAALI, KENNETH K. Understanding the interplay between pi-pi and cation-pi interactions in [janusene-Ag](+) host-guest systems: a computational approach. DALTON TRANSACTIONS, v. 48, n. 35, p. 13281-13292, SEP 21 2019. Web of Science Citations: 0.
MISTURINI, ALECHANIA; ORTOLAN, ALEXANDRE O.; CARAMORI, GIOVANNI F.; CINTRA, CLAUDIA H.; PARREIRA, RENATO L. T. Tracking the absence of anion-pi interactions in modified [2(3)](1,3,5)cyclophanes: insights from computation. NEW JOURNAL OF CHEMISTRY, v. 43, n. 33, p. 13271-13281, SEP 7 2019. Web of Science Citations: 0.
PARREIRA, RENATO L. T.; COSTA, EVELINE S.; HELENO, VLADIMIR C. G.; MAGALHAES, LIZANDRA G.; SOUZA, JULIA M.; PAULETTI, PATRICIA M.; CUNHA, WILSON R.; JANUARIO, ANA H.; SIMARO, GUILHERME V.; BASTOS, JAIRO K.; LAURENTIZ, ROSANGELA S.; KAR, TAPAS; CARAMORI, GIOVANNI F.; KAWANO, DANIEL FABIO; ANDRADE E SILVA, MARCIO L. Evaluation of Lignans from Piper cubeba against Schistosoma mansoni Adult Worms: A Combined Experimental and Theoretical Study. CHEMISTRY & BIODIVERSITY, v. 16, n. 1 JAN 2019. Web of Science Citations: 2.
PIOTROWSKI, MAURICIO J.; NAGURNIAK, GLAUCIO R.; DA SILVA, EDER H.; PARREIRA, RENATO L. T. Bare versus protected tetrairidium clusters by density functional theory. Physical Chemistry Chemical Physics, v. 20, n. 46, p. 29480-29492, DEC 14 2018. Web of Science Citations: 1.
DA COSTA, RICARDO M.; BASTOS, JAIRO K.; COSTA, MARIA C. A.; FERREIRA, MARCIA M. C.; MIZUNO, CASSIA S.; CARAMORI, GIOVANNI F.; NAGURNIAK, GLAUCIO R.; SIMAO, MARILIA R.; DOS SANTOS, RAQUEL A.; VENEZIANI, RODRIGO C. S.; AMBROSIO, SERGIO R.; PARREIRA, RENATO L. T. In vitro cytotoxicity and structure-activity relationship approaches of ent-kaurenoic acid derivatives against human breast carcinoma cell line. Phytochemistry, v. 156, p. 214-223, DEC 2018. Web of Science Citations: 1.
SCORSIN, LEANDRO; ROEHRS, JULIANO A.; CAMPEDELLI, ROBERTA R.; CARAMORI, GIOVANNI F.; ORTOLAN, ALEXANDRE O.; PARREIRA, RENATO L. T.; FIEDLER, HAIDI D.; ACUNA, ANGEL; GARCIA-RIO, LUIS; NOME, FARUK. Cucurbituril-Mediated Catalytic Hydrolysis: A Kinetic and Computational Study with Neutral and Cationic Dioxolanes in CB7. ACS CATALYSIS, v. 8, n. 12, p. 12067-12079, DEC 2018. Web of Science Citations: 7.
SCHNEIDER, FELIPE S. S.; SEGALA, MAXIMILIANO; CARAMORI, GIOVANNI F.; DA SILVA, EDER HENRIQUE; PARREIRA, RENATO L. T.; SCHREKKER, HENRI S.; VAN LEEUWEN, PIET W. N. M. How Do Secondary Phosphine Oxides Interact with Silver Nanoclusters? Insights from Computation. Journal of Physical Chemistry C, v. 122, n. 37, p. 21449-21461, SEP 20 2018. Web of Science Citations: 3.
ORTOLAN, ALEXANDRE O.; CARAMORI, GIOVANNI F.; PARREIRA, RENATO L. T.; MUNOZ-CASTRO, ALVARO. Helicenes as Molecular Tweezers in the Formation of Cation- Complexes. Bonding and Circular Dichroism Properties from Relativistic DFT Calculations. ChemPhysChem, v. 19, n. 18, p. 2321-2330, SEP 18 2018. Web of Science Citations: 3.
NAGURNIAK, GLAUCIO R.; CARAMORI, GIOVANNI F.; MUNOZ-CASTRO, ALVARO; PARREIRA, RENATO L. T.; DA SILVA, EDER H. The ability of Ex(2)Box(4+) to interact with guests containing -electron-rich and -electron-poor moieties. International Journal of Quantum Chemistry, v. 118, n. 15 AUG 5 2018. Web of Science Citations: 3.
ORTOLAN, ALEXANDRE O.; OESTROM, INA; CARAMORI, GIOVANNI F.; PARREIRA, RENATO L. T.; MUNOZ-CASTRO, ALVARO; BICKELHAUPT, F. MATTHIAS. Anion Recognition by Organometallic Calixarenes: Analysis from Relativistic DFT Calculations. Organometallics, v. 37, n. 13, p. 2167-2176, JUL 9 2018. Web of Science Citations: 7.
OSTROM, INA; ORTOLAN, ALEXANDRE O.; SCHNEIDER, FELIPE S. S.; CARAMORI, GIOVANNI F.; PARREIRA, RENATO L. T. Quest for Insight into Ultrashort C-H center dot center dot center dot pi Proximities in Molecular ``Iron Maidens{''}. Journal of Organic Chemistry, v. 83, n. 9, p. 5114-5122, MAY 4 2018. Web of Science Citations: 3.
ORTOLAN, ALEXANDRE O.; OSTROM, INA; CARAMORI, GIOVANNI F.; PARREIRA, RENATO L. T.; DA SILVA, EDER H.; BICKELHAUPT, F. MATTHIAS. Tuning Heterocalixarenes to Improve Their Anion Recognition: A Computational Approach. Journal of Physical Chemistry A, v. 122, n. 12, p. 3328-3336, MAR 29 2018. Web of Science Citations: 10.
SCHNEIDER, FELIPE S. S.; CARAMORI, GIOVANNI FINOTO; PARREIRA, RENATO L. T.; LIPPOLIS, VITO; ARCA, MASSIMILIANO; CIANCALEONI, GIANLUCA. Bond Analysis in Dihalogen-Halide and Dihalogen-Dimethylchalcogenide Systems. European Journal of Inorganic Chemistry, n. 8, p. 1007-1015, FEB 28 2018. Web of Science Citations: 4.
ORTOLAN, ALEXANDRE O.; CARAMORI, GIOVANNI F.; MATTHIAS BICKELHAUPT, F.; PARREIRA, RENATO L. T.; MUNOZ-CASTRO, ALVARO; KAR, TAPAS. How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation. Physical Chemistry Chemical Physics, v. 19, n. 36, p. 24696-24705, SEP 28 2017. Web of Science Citations: 10.
KAR, TAPAS; ADHIKARI, UPENDRA; SCHEINER, STEVE; ROY, AJIT K.; PARREIRA, RENATO L. T.; BERGAMO, PEDRO A. DE S.; CARAMORI, GIOVANNI F.; SCHNEIDER, FELIPE S. S. Solvation Enhances the Distinction between Carboxylated Armchair and Zigzag Single-Wall Carbon Nanotubes (SWNT-COOH). Journal of Physical Chemistry C, v. 121, n. 17, p. 9516-9527, MAY 4 2017. Web of Science Citations: 0.
SOARES, ANA C. F.; CABRAL, MIRELA M. W.; MARTINS, CARLOS H. G.; FERREIRA, ALEXSANDRO E.; BERGAMO, PEDRO A. S.; OMOSA, LEONIDA K.; MIDIWO, JACOB O.; PARREIRA, RENATO L. T.; HELENO, VLADIMIR C. G. Study of Anti-Tuberculosis Activity Behaviour of Natural Kaurane and Trachylobane Diterpenes Compared with Structural Properties Obtained by Theoretical Calculations. NATURAL PRODUCT COMMUNICATIONS, v. 12, n. 5, p. 763-769, MAY 2017. Web of Science Citations: 0.
ORTOLAN, ALEXANDRE O.; CARAMORI, GIOVANNI F.; GARCIA, LEONE C.; PARREIRA, RENATO L. T.; BENTO, MARIANA V. B. Metal-ligand bonding situation in ruthenophanes containing ij-xylylene-linked bis(NHC)cyclophane ligands. JOURNAL OF ORGANOMETALLIC CHEMISTRY, v. 830, p. 100-108, FEB 15 2017. Web of Science Citations: 2.
PARREIRA, RENATO L. T.; NASSAR, EDUARDO J.; DA SILVA, EDER H.; ROCHA, LUCAS A.; BERGAMO, PEDRO A. DE S.; FERREIRA, CAMILA M. A.; KAR, TAPAS; FONSECA, DAVID E. P.; COIMBRA, DANIEL F.; CARAMORI, GIOVANNI F. Electronic properties and metal-ligand bonding situation in Eu(III) complexes containing tris(pyrazolyl)borate and phenantroline ligands. Journal of Luminescence, v. 182, p. 137-145, FEB 2017. Web of Science Citations: 4.
LIMA, THAIS C.; LUCARINI, RODRIGO; VOLPE, ANGELICA C.; DE ANDRADE, CAROLINA Q. J.; SOUZA, ALICE M. P.; PAULETTI, PATRICIA M.; JANUARIO, ANA H.; SIMARO, GUILHERME V.; BASTOS, JAIRO K.; CUNHA, WILSON R.; BORGES, ALEXANDRE; LAURENTIZ, ROSANGELA DA SILVA; CONFORTI, VALERIA A.; PARREIRA, RENATO L. T.; BORGES, CARLY H. G.; CARAMORI, GIOVANNI F.; ANDRIANI, KARLA F.; E SILVA, MARCIO L. A. In vivo and in silico anti-inflammatory mechanism of action of the semisynthetic (-)-cubebin derivatives (-)-hinokinin and (-)-O-benzylcubebin. Bioorganic & Medicinal Chemistry Letters, v. 27, n. 2, p. 176-179, JAN 15 2017. Web of Science Citations: 6.
GARCIA, LEONE C.; CARAMORI, GIOVANNI F.; BERGAMO, PEDRO A. S.; PARREIRA, RENATO L. T. Transport properties of ruthenophanes - A theoretical insight. Chemical Physics, v. 478, n. SI, p. 23-33, OCT 20 2016. Web of Science Citations: 2.
SEGALA, MAXIMILIANO; SCHNEIDER, FELIPE S. S.; CARAMORI, GIOVANNI F.; PARREIRA, RENATO L. T. Evaluation of Electron Donation as a Mechanism for the Stabilisation of Chalcogenate-Protected Gold Nanoclusters. ChemPhysChem, v. 17, n. 19, p. 3102-3111, OCT 5 2016. Web of Science Citations: 2.
NAGURNIAK, GLAUCIO R.; CARAMORI, GIOVANNI F.; PARREIRA, RENATO L. T.; BERGAMO, PEDRO A. S.; FRENKING, GERNOT; MUNOZ-CASTRO, ALVARO. Shedding Light on the Nature of Host-Guest Interactions in PAHs-ExBox(4+) Complexes. Journal of Physical Chemistry C, v. 120, n. 28, p. 15480-15487, JUL 21 2016. Web of Science Citations: 5.
PELEGRINI, MARINA; PARREIRA, RENATO L. T.; FERRAO, LUIZ F. A.; CARAMORI, GIOVANNI F.; ORTOLAN, ALEXANDRE O.; DA SILVA, EDER H.; ROBERTO-NETO, ORLANDO; ROCCO, JOSE A. F. F.; MACHADO, FRANCISCO B. C. Hydrazine decomposition on a small platinum cluster: the role of N2H5 intermediate. THEORETICAL CHEMISTRY ACCOUNTS, v. 135, n. 3 FEB 19 2016. Web of Science Citations: 3.
TALITA C. T. MEDEIROS; HERBERT J. DIAS; ELIANE O. SILVA; MURILO J. FUKUI; ANA CAROLINA F. SOARES; TAPAS KAR; VLADIMIR C. G. HELENO; PAULO M. DONATE; RENATO L. T. PARREIRA; ANTÔNIO E. M. CROTTI. Detailed 1H and 13C NMR Spectral Data Assignment for Two Dihydrobenzofuran Neolignans. Journal of the Brazilian Chemical Society, v. 27, n. 1, p. -, Jan. 2016.
MEDEIROS, TALITA C. T.; DIAS, HERBERT J.; SILVA, ELIANE O.; FUKUI, MURILO J.; SOARES, ANA CAROLINA F.; KAR, TAPAS; HELENO, VLADIMIR C. G.; DONATE, PAULO M.; PARREIRA, RENATO L. T.; CROTTI, ANTONIO E. M. Detailed H-1 and C-13 NMR Spectral Data Assignment for Two Dihydrobenzofuran Neolignans. Journal of the Brazilian Chemical Society, v. 27, n. 1, p. 136-143, JAN 2016. Web of Science Citations: 5.
CARAMORI, GIOVANNI F.; ORTOLAN, ALEXANDRE O.; PARREIRA, RENATO L. T.; DA SILVA, EDER H. Ruthenium nitrosyl complexes containing pyridine-functionalized carbenes - A theoretical insight. JOURNAL OF ORGANOMETALLIC CHEMISTRY, v. 799-800, p. 54-60, DEC 15 2015. Web of Science Citations: 3.
DUARTE LOPEZ, ALFREDO HENRIQUE; CARAMORI, GIOVANNI FINOTO; COIMBRA, DANIEL FERNANDO; TAME PARREIRA, RENATO LUIS; DA SILVA, EDER HENRIQUE. The Two Faces of Hydrogen-Bond Strength on Triple AAA-DDD Arrays. ChemPhysChem, v. 14, n. 17, p. 3994-4001, DEC 2 2013. Web of Science Citations: 8.

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