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Sergio Emanuel Galembeck

CV Lattes GoogleMyCitations ResearcherID ORCID


Universidade de São Paulo (USP). Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto (FFCLRP)  (Institutional affiliation for the last research proposal)
Birthplace: Brazil

graduate degree in Chemistry from the Universidade de São Paulo (1978) and PhD in Chemistry from the Universidade de São Paulo (1988). Has experience in Chemistry, focusing on Moecular Quantum Mechanics and Chemical Bonding. The main topics of his research are: hidrogen bonding, interaction between aromatic rings, stacking, aromaticity and computational thermochemistry. Also develop experiments in computational quantum chemistry for undergraduated chemistry courses. (Source: Lattes Curriculum)

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Scientific publications resulting from Research Grants and Scholarships under the grantee's responsibility (39)

(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)

Publications33
Citations225
Cit./Article6.8
Data from Web of Science

ORENHA, RENATO P.; GALEMBECK, SERGIO E.. Molecular Orbitals of NO, NO+, and NO-: A Computational Quantum Chemistry Experiment. Journal of Chemical Education, v. 91, n. 7, p. 1064-1069, . Web of Science Citations: 3. (09/08712-4, 11/20351-7, 08/02677-0)

GALEMBECK, SERGIO E.; BICKELHAUPT, F. MATTHIAS; GUERRA, CELIA FONSECA; GALEMBECK, EDUARDO. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X. Journal of Molecular Modeling, v. 20, n. 7, . Web of Science Citations: 2. (08/02677-0)

DE LIMA BATISTA, ANA P.; DE OLIVEIRA-FILHO, ANTONIO G. S.; GALEMBECK, SERGIO E.. Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach. Physical Chemistry Chemical Physics, v. 19, n. 21, p. 13860-13867, . Web of Science Citations: 11. (15/11714-0, 14/50265-3, 15/22203-6, 08/02677-0)

ORENHA, RENATO P.; VESSECCHI, RICARDO; GALEMBECK, SERGIO E.. The influence of the negative hyperconjugation is relevant for the analysis of the pi-pi{*} conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene?. STRUCTURAL CHEMISTRY, v. 29, n. 3, p. 847-857, . Web of Science Citations: 3. (09/08712-4, 14/23604-1, 14/50265-3, 11/20351-7, 15/15176-2, 08/02677-0)

DE LIMA BATISTA, ANA P.; DE OLIVEIRA-FILHO, ANTONIO G. S.; GALEMBECK, SERGIO E.. CO2 Sequestration by Triazolylidene-Derived N-Heterocyclic Olefins: A Computational Study. CHEMISTRYSELECT, v. 2, n. 17, p. 4648-4654, . Web of Science Citations: 5. (15/11714-0, 14/50265-3, 15/22203-6, 08/02677-0)

ORENHA, RENATO P.; ROCHA, MARCUS V. J.; POATER, JORDI; GALEMBECK, SERGIO E.; BICKELHAUPT, F. MATTHIAS. Nature of the Ru-NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis. CHEMISTRYOPEN, v. 6, n. 3, p. 410-416, . Web of Science Citations: 7. (14/50265-3, 11/20351-7, 15/15176-2, 08/02677-0)

PARREIRA, RENATO L. T.; CARAMORI, GIOVANNI F.; MORGON, NELSON H.; GALEMBECK, SERGIO E.. Hydrogen bond and the resonance effect on the formamide-water complexes. International Journal of Quantum Chemistry, v. 112, n. 5, p. 1401-1420, . Web of Science Citations: 5. (08/02677-0)

GRIMMEL, STEPHANIE A.; TEODORO, TIAGO Q.; VISSCHER, LUCAS. Is it worthwhile to go beyond the local-density approximation in subsystem density functional theory?. International Journal of Quantum Chemistry, v. 120, n. 21, SI, . Web of Science Citations: 0. (16/07787-4, 16/23165-3)

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, . Web of Science Citations: 0. (17/04856-8, 17/24856-2, 11/07623-8)

ORENHA, RENATO P.; GALEMBECK, SERGIO E.. How does the pH influences the Ru-NO coordination compounds?. International Journal of Quantum Chemistry, v. 119, n. 20, . Web of Science Citations: 0. (14/50265-3, 15/15176-2, 11/20351-7, 08/02677-0)

DE LIMA BATISTA, ANA PAULA; DE OLIVEIRA-FILHO, ANTONIO G. S.; GALEMBECK, SERGIO EMANUEL. Computationally Designed 1,2,4-Triazolylidene-Derived N-Heterocyclic Olefins for CO2 Capture, Activation, and Storage. ACS OMEGA, v. 2, n. 1, p. 299-307, . Web of Science Citations: 5. (14/50265-3, 08/02677-0, 15/22203-6, 15/11714-0)

BRAIDA, BENOIT; GALEMBECK, SERGIO E.; HIBERTY, PHILIPPE C.. Ozone and Other 1,3-Dipoles: Toward a Quantitative Measure of Diradical Character. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 13, n. 7, p. 3228-3235, . Web of Science Citations: 8. (14/50265-3, 08/02677-0)

DE LIMA BATISTA, ANA P.; DE OLIVEIRA-FILHO, ANTONIO G. S.; GALEMBECK, SERGIO E.. Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach. Physical Chemistry Chemical Physics, v. 19, n. 21, p. 13860-13867, . Web of Science Citations: 11. (14/50265-3, 08/02677-0, 15/22203-6, 15/11714-0)

MENEZES DA SILVA, VITOR H.; DE LIMA BATISTA, ANA PAULA; NAVARRO, OSCAR; BRAGA, ATAUALPA A. C.. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: Exploring density functionals methods and molecular models. Journal of Computational Chemistry, v. 38, n. 28, p. 2371-2377, . Web of Science Citations: 4. (15/01491-3, 15/22203-6, 14/25770-6, 13/04813-6)

GALEMBECK, SERGIO E.; CARAMORI, GIOVANNI F.; MISTURINI, ALECHANIA; GARCIA, LEONE C.; ORENHA, RENATO P.. Metal-Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes. Organometallics, v. 36, n. 18, p. 3465-3470, . Web of Science Citations: 7. (14/50265-3, 08/02677-0, 11/20351-7, 15/15176-2)

ORENHA, RENATO PEREIRA; SANTIAGO, REGIS TADEU; ANDRADE HAIDUKE, ROBERTO LUIZ; GALEMBECK, SERGIO EMANUEL. How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes?. Journal of Computational Chemistry, v. 38, n. 12, p. 883-891, . Web of Science Citations: 10. (11/20351-7, 15/15176-2, 08/02677-0, 14/23714-1, 10/18743-1)

ORENHA, RENATO P.; VESSECCHI, RICARDO; GALEMBECK, SERGIO E.. The influence of the negative hyperconjugation is relevant for the analysis of the pi-pi{*} conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene?. STRUCTURAL CHEMISTRY, v. 29, n. 3, p. 847-857, . Web of Science Citations: 3. (11/20351-7, 15/15176-2, 08/02677-0, 14/50265-3, 09/08712-4, 14/23604-1)

TEODORO, T. Q.; KOENIS, M. A. J.; GALEMBECK, S. E.; NICU, V. P.; BUMA, W. J.; VISSCHER, L.. Frequency Range Selection Method for Vibrational Spectra. Journal of Physical Chemistry Letters, v. 9, n. 23, p. 6878-6882, . Web of Science Citations: 0. (16/07787-4, 14/50265-3, 16/23165-3, 08/02677-0)

DE LIMA BATISTA, ANA P.; DE OLIVEIRA-FILHO, ANTONIO G. S.; GALEMBECK, SERGIO E.. CO2 Sequestration by Triazolylidene-Derived N-Heterocyclic Olefins: A Computational Study. CHEMISTRYSELECT, v. 2, n. 17, p. 4648-4654, . Web of Science Citations: 5. (14/50265-3, 08/02677-0, 15/22203-6, 15/11714-0)

ORENHA, RENATO P.; ROCHA, MARCUS V. J.; POATER, JORDI; GALEMBECK, SERGIO E.; BICKELHAUPT, F. MATTHIAS. Nature of the Ru-NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis. CHEMISTRYOPEN, v. 6, n. 3, p. 410-416, . Web of Science Citations: 7. (14/50265-3, 08/02677-0, 11/20351-7, 15/15176-2)

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, . Web of Science Citations: 0. (17/04856-8, 17/24856-2, 11/07623-8)

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, . Web of Science Citations: 0. (11/07623-8, 17/04856-8, 08/02677-0, 17/24856-2, 14/50265-3)

DOURADO, ANDRE H. B.; DA SILVA, ANDERSON G. M.; PASTRIAN, FABIAN A. C.; MUNHOS, RENAN L.; DE LIMA BATISTA, ANA P.; DE OLIVEIRA-FILHO, ANTONIO G. S.; QUIROZ, JHON; DE OLIVEIRA, DANIELA C.; CAMARGO, PEDRO H. C.; CORDOBA DE TORRESI, SUSANA I.. In situ FTIR insights into the electrooxidation mechanism of glucose as a function of the surface facets of Cu2O-based electrocatalytic sensors. JOURNAL OF CATALYSIS, v. 375, p. 95-103, . Web of Science Citations: 1. (17/12407-9, 15/26308-7, 13/25592-8, 15/22203-6, 15/11714-0)

ORENHA, RENATO P.; GREGORIO, LETICIA R. SAN; GALEMBECK, SERGIO E.. Computational study of the interaction between NO, NO+, and NO- with H2O. Journal of Molecular Modeling, v. 22, n. 11, . Web of Science Citations: 2. (14/50265-3, 08/02677-0, 11/20351-7, 15/15176-2)

AOTO, YURI A.; DE LIMA BATISTA, ANA PAULA; KOEHN, ANDREAS; DE OLIVEIRA-FILHO, ANTONIO G. S.. How To Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment?. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 13, n. 11, p. 5291-5316, . Web of Science Citations: 28. (15/22203-6, 15/11714-0)

TEODORO, T. Q.; KOENIS, M. A. J.; RUGER, R.; GALEMBECK, S. E.; BUMA, W. J.; NICU, V. P.; VISSCHER, L.. Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism. Journal of Physical Chemistry A, v. 122, n. 49, p. 9435-9445, . Web of Science Citations: 0. (16/07787-4, 14/50265-3, 16/23165-3, 08/02677-0)

ORENHA, RENATO P.; CARAMORI, GIOVANNI F.; MISTURINI, ALECHANIA; GALEMBECK, SERGIO E.. Shedding light on the electronic structure of [Ru((6)-C16H16)(NH3)(3)](2+) complex: a computational insight. Journal of Molecular Modeling, v. 25, n. 1, . Web of Science Citations: 0. (15/15176-2, 11/20351-7, 08/02677-0)

PASTRIAN, FABIAN A. C.; DA SILVA, ANDERSON G. M.; DOURADO, ANDRE H. B.; DE LIMA BATISTA, ANA P.; DE OLIVEIRA-FIHO, ANTONIO G. S.; QUIROZ, JHON; DE OLIVEIRA, DANIELA C.; CAMARGO, PEDRO H. C.; CORDOBA DE TORRESI, SUSANA I.. Why Could the Nature of Surface Facets Lead to Differences in the Activity and Stability of Cu2O-Based Electrocatalytic Sensors?. ACS CATALYSIS, v. 8, n. 7, p. 6265-6272, . Web of Science Citations: 10. (15/26308-7, 15/22203-6, 15/11714-0)

ORENHA, RENATO PEREIRA; TFOUNI, ELIA; GALEMBECK, SERGIO EMANUEL. How does the total charge and isomerism influence the Ru-NO ammine complexes?. Physical Chemistry Chemical Physics, v. 20, n. 19, p. 13348-13356, . Web of Science Citations: 2. (06/53266-4, 11/20351-7, 15/15176-2, 08/02677-0, 14/50265-3)

OLIVIER, DANILO DA SILVA; ITO, AMANDO SIUITI; GALEMBECK, SERGIO EMANUEL. Microhydration effects on geometric properties and electronic absorption spectra of ortho-aminobenzoic acid. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 147, p. 328-333, . Web of Science Citations: 2. (08/02677-0)

ORENHA, RENATO PEREIRA; TFOUNI, ELIA; GALEMBECK, SERGIO EMANUEL. How does the total charge and isomerism influence the Ru-NO ammine complexes?. Physical Chemistry Chemical Physics, v. 20, n. 19, p. 13348-13356, . Web of Science Citations: 2. (06/53266-4, 11/20351-7, 15/15176-2, 08/02677-0, 14/50265-3)

OLIVIER, DANILO DA SILVA; ITO, AMANDO SIUITI; GALEMBECK, SERGIO EMANUEL. Microhydration effects on geometric properties and electronic absorption spectra of ortho-aminobenzoic acid. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 147, p. 328-333, . Web of Science Citations: 2. (08/02677-0)

VESSECCHI, RICARDO; EMERY, FLAVIO S.; GALEMBECK, SERGIO E.; LOPES, NORBERTO P.. Fragmentation studies and electrospray ionization mass spectrometry of lapachol: protonated, deprotonated and cationized species. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, v. 24, n. 14, p. 2101-2108, . Web of Science Citations: 27. (09/14184-0, 05/01572-1, 09/08281-3)

VESSECCHI, RICARDO; LOPES, JOSE N. C.; LOPES, NORBERTO P.; GALEMBECK, SERGIO E.. Application of the Atoms in Molecules Theory and Computational Chemistry in Mass Spectrometry Analysis of 1,4-Naphthoquinone Derivatives. Journal of Physical Chemistry A, v. 115, n. 45, SI, p. 12780-12788, . Web of Science Citations: 13. (05/01572-1, 09/08281-3)

ISHIKI‚ H.M.; ALEMÁN‚ C.; GALEMBECK‚ S.E.. Conformational preferences of flavone and isoflavone in the gas phase‚ aqueous solution and organic solution. Chemical Physics Letters, v. 287, n. 5, p. 579-584, .

ALEMÁN‚ C.; ISHIKI‚ H.M.; ARMELIN‚ E.A.; ABRAHÃO JUNIOR‚ O.; GALEMBECK‚ S.E.. Free energies of solvation for peptides and polypeptides using SCRF methods. Chemical Physics, v. 233, n. 1, p. 85-96, .

RICARDO VESSECCHI; SÉRGIO E. GALEMBECK; NORBERTO P. LOPES; PAULO G. B. D. NASCIMENTO; ANTÔNIO E. M. CROTTI. Aplicação da química quântica computacional no estudo de processos químicos envolvidos em espectrometria de massas. Química Nova, v. 31, n. 4, p. 840-853, . (05/01572-1)

PARREIRA‚ R.L.T.; VALDÉS‚ H.; GALEMBECK‚ S.E.. Computational study of formamide-water complexes using the SAPT and AIM methods. Chemical Physics, v. 331, n. 1, p. 96-110, .

TÂME PARREIRA‚ R.L.; GALEMBECK‚ S.E.; HOBZA‚ P.. On the Origin of Red and Blue Shifts of X H and C H Stretching Vibrations in Formic Acid (Formate Ion) and Proton Donor Complexes. ChemPhysChem, v. 8, n. 1, p. 87-92, . (03/12270-0)

VESSECCHI, RICARDO; CAROLLO, CARLOS A.; LOPES, JOSE N. C.; CROTTI, ANTONIO E. M.; LOPES, NORBERTO P.; GALEMBECK, SERGIO E.. Gas-phase dissociation of 1,4-naphthoquinone derivative anions by electrospray ionization tandem mass spectrometry. Journal of Mass Spectrometry, v. 44, n. 8, p. 1224-1233, . Web of Science Citations: 20. (05/01572-1)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

PARREIRA, Renato Luis Tame. \"As ligações de hidrogênio e o efeito do substituinte - Influência na ressonância e aromaticidade de cátions e ácidos orgânicos\". Tese (Doutorado) -  Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto.  Universidade de São Paulo (USP).  Ribeirão Preto.  (01/06101-6

LOURENÇO, Ricardo Vessecchi. A utilização da química computacional em processos químicos relacionados à ionização por electrospray. Tese (Doutorado) -  Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto.  Universidade de São Paulo (USP).  Ribeirão Preto.  (05/01572-1

PARREIRA, Renato Luis Tame. Interação da formamida com água.. Dissertação (Mestrado) -  Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto.  Universidade de São Paulo (USP).  Ribeirão Preto.  (98/14743-3

CARAMORI, Giovanni Finoto. Estudo computacional de [2.2]ciclofanos. Tese (Doutorado) -  Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto.  Universidade de São Paulo (USP).  Ribeirão Preto.  (02/03753-5

FREITAS, Renato Ferreira de. Estudo computacional da interação entre inibidores não nucleosídeos da transcriptase reversa do vírus HIV-1 com aminoácidos do sítio inibitório. Dissertação (Mestrado) -  Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto.  Universidade de São Paulo (USP).  Ribeirão Preto.  (03/04630-7

ORENHA, Renato Pereira. Estudo computacional de compostos rutênio-nitrosilo. Tese (Doutorado) -  Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto.  Universidade de São Paulo (USP).  Ribeirão Preto.  (11/20351-7

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