Sérgio E. Galembeck: search on Z-Library

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1

Triboelectricity: Macroscopic Charge Patterns Formed by Self-Arraying Ions on Polymer Surfaces

Burgo, Thiago A. L., Ducati, Telma R. D., Francisco, Kelly R., Clinckspoor, Karl J., Galembeck, Fernando, Galembeck, Sergio E.

Journal:

Year:

2012

Language:

english

File:

PDF, 3.99 MB

english, 2012

2

Photophysical Properties and NO photorelease Mechanism of a Ruthenium Nitrosyl Model Complex by the CASSCF-in-DFT Embedding Approach

Batista, Ana Paula de Lima, Sampaio de Oliveira-Filho, Antonio Gustavo, Galembeck, Sérgio E.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 6.09 MB

english, 2017

3

Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents. An experimental and theoretical investigation

Martins, Danilo E., Madeira, Rafael M., Fernandes, Cleverton S., Galembeck, Sergio E., Basso, Ernani A., Pontes, Rodrigo M.

Journal:

Journal of Molecular Structure

Year:

2020

File:

PDF, 1.78 MB

2020

4

Computational study of steric and spectroscopic characteristics of bi-chromophoric cyanine dyes: Comparison with experimental data

Fábio António Schaberle, Sérgio Emanuel Galembeck, Iouri Evgenievitch Borissevitch

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2009

Language:

english

File:

PDF, 513 KB

english, 2009

5

Molecular Orbitals of NO, NO + , and NO – : A Computational Quantum Chemistry Experiment

Orenha, Renato P., Galembeck, Sérgio E.

Journal:

Journal of Chemical Education

Year:

2014

Language:

english

File:

PDF, 996 KB

english, 2014

6

Effect of the Environment on the Reactivity of 4′-Substituted Flavones and Isoflavones

Elaine A Armelin, Paulo Marcos Donate, Sergio E Galembeck

Journal:

Year:

2000

Language:

english

File:

PDF, 115 KB

english, 2000

7

Force field parametrization of 1,3-dihydroimidazol-2-one

Odonı́rio Abrahão-Júnior, Carlos Alemán, Sérgio Emanuel Galembeck

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 94 KB

english, 1999

8

Application of the Atoms in Molecules Theory and Computational Chemistry in Mass Spectrometry Analysis of 1,4-Naphthoquinone Derivatives

Vessecchi, Ricardo, Lopes, José N. C., Lopes, Norberto P., Galembeck, Sérgio E.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.75 MB

english, 2011

9

Stable ion and electrophilic chemistry of fluoranthene-PAHsElectronic supplementary information (ESI) available: Table S1, NMR spectra and results of calculations. See http://www.rsc.org/suppdata/p2/b1/b108025n/

Laali, Kenneth K., Okazaki, Takao, Galembeck, Sergio E.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2002

Language:

english

File:

PDF, 341 KB

english, 2002

10

Effect of C–H ⋯ S and C–H ⋯ Cl interactions on the conformational preference of inhibitors of TIBO family

Renato F. Freitas, Sérgio E. Galembeck

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 424 KB

english, 2006

11

An IR spectral measure of classical aromaticity in five-and six-membered ring heterocycles: an ab initio study

Sérgio E. Galembeck, Nivan B. da Costa Jr., Mozart N. Ramos, Benício de B. Neto

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 622 KB

english, 1993

12

Computational Study of the Interaction between TIBO Inhibitors and Y181 (C181), K101, and Y188 Amino Acids

Freitas, Renato F., Galembeck, Sérgio E.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 508 KB

english, 2006

13

Microhydration effects on geometric properties and electronic absorption spectra of ortho-aminobenzoic acid

Olivier, Danilo da Silva, Ito, Amando Siuiti, Galembeck, Sergio Emanuel

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 922 KB

english, 2015

14

Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents. An experimental and theoretical investigation

Martins, Danilo E., Madeira, Rafael M., Fernandes, Cleverton S., Galembeck, Sergio E., Basso, Ernani A., Pontes, Rodrigo M.

Journal:

Journal of Molecular Structure

Year:

2020

Language:

english

File:

PDF, 1.78 MB

english, 2020

15

Nature of the Ru−NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis

Orenha, Renato P., Rocha, Marcus V. J., Poater, Jordi, Galembeck, Sérgio E., Bickelhaupt, F. Matthias

Journal:

Year:

2017

Language:

english

File:

PDF, 640 KB

english, 2017

16

The influence of the negative hyperconjugation is relevant for the analysis of the π-π* conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene?

Orenha, Renato P., Vessecchi, Ricardo, Galembeck, Sérgio E.

Journal:

Structural Chemistry

Year:

2018

Language:

english

File:

PDF, 1.20 MB

english, 2018

17

Fragmentation studies and electrospray ionization mass spectrometry of lapachol: protonated, deprotonated and cationized species

Ricardo Vessecchi, Flavio S. Emery, Sérgio E. Galembeck, Norberto P. Lopes

Journal:

Rapid Communications in Mass Spectrometry

Year:

2010

Language:

english

File:

PDF, 261 KB

english, 2010

18

CO 2 Sequestration by Triazolylidene-Derived N-Heterocyclic Olefins: A Computational Study

de Lima Batista, Ana P., de Oliveira-Filho, Antonio G. S., Galembeck, Sérgio E.

Journal:

ChemistrySelect

Year:

2017

Language:

english

File:

PDF, 3.69 MB

english, 2017

19

Conformational preferences of flavone and isoflavone in the gas phase, aqueous solution and organic solution

Hamilton Mitsugu Ishiki, Carlos Alemán, Sérgio Emanuel Galembeck

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 169 KB

english, 1998

20

Computational study of the interaction between NO, NO+, and NO−with H2O

Orenha, Renato P., San Gregorio, Letícia R., Galembeck, Sérgio E.

Journal:

Journal of Molecular Modeling

Year:

2016

Language:

english

File:

PDF, 2.11 MB

english, 2016

21

Ozone and Other 1,3-Dipoles: Toward a Quantitative Measure of Diradical Character

Braïda, Benoît, Galembeck, Sergio Emanuel, Hiberty, Philippe Charles

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 714 KB

english, 2017

22

Conformational analysis of the HIV-1 virus reverse transcriptase nonnucleoside inhibitors: TIBO and nevirapine

Odonírio Abrahão-Júnior, Paulo G. B. D. Nascimento, Sérgio E. Galembeck

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 244 KB

english, 2001

23

Silver nanoparticles formation within unsaturated polyester/styrene resins induced by UV irradiation and thermal treatment

Antonio M. Brito-Silva, Cid B. de Araújo, Fábio A. Brayner, Sergio S. Santos, André Galembeck, Edwin R.C. Milet

Journal:

Polymer Engineering & Science

Year:

2010

Language:

english

File:

PDF, 727 KB

english, 2010

24

Hydrogen bond and the resonance effect on the formamide–water complexes

Renato L. T. Parreira, Giovanni F. Caramori, Nelson H. Morgon, Sérgio E. Galembeck

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 858 KB

english, 2012

25

Evaluation of the Enthalpy of Formation, Proton Affinity, and Gas-Phase Basicity of γ-Butyrolactone and 2-Pyrrolidinone by Isodesmic Reactions

Vessecchi, Ricardo, Galembeck, Sérgio E.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 86 KB

english, 2008

26

Computational study of the electronic excitations of some anthocyanidins

Grace K Pereira, Sérgio E Galembeck

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1998

Language:

english

File:

PDF, 121 KB

english, 1998

27

A Frequency Range Selection Method for Vibrational Spectra

Quevedo Teodoro, Tiago, Koenis, Mark Antonius Johannes, Galembeck, Sérgio Emanuel, Nicu, Valentin Paul, Buma, Wybren Jan, Visscher, Lucas

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 937 KB

english, 2018

28

Aromaticity and Homoaromaticity in Methano[10]annulenes.

Caramori, Giovanni F., de Oliveira, Kleber T., Galembeck, Sérgio Emanuel, Bultinck, Patrick, Constantino, Mauricio G.

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 20 KB

english, 2007

29

Superacid protonation of dihydrocyclobuta[e]pyrene and its C60–o-quinodimethane adduct. An NMR, ab initio/GIAO and AM1/PM3 study

Laali, Kenneth K., Hollenstein, Sandro, Galembeck, Sergio E., Nakamura, Yosuke, Nishimura, Jun

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1999

Language:

english

File:

PDF, 151 KB

english, 1999

30

Gas phase br�nsted basicity of [(?5-MeC5H4)Mn(CO)3]

Fernando, Jos�, Faigle, G., da Costa Ferreira, Ana Maria, Galembeck, Sergio E., Riveros, Jos� M.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1978

Language:

english

File:

PDF, 152 KB

english, 1978

31

Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight

Orenha, Renato P., Caramori, Giovanni F., Misturini, Alechania, Galembeck, Sérgio E.

Journal:

Journal of Molecular Modeling

Year:

2019

Language:

english

File:

PDF, 5.67 MB

english, 2019

32

Gas-phase fragmentation of γ-lactone derivatives by electrospray ionization tandem mass spectrometry

Antonio E. M. Crotti, Erika S. Bronze-Uhle, Paulo G. B. D. Nascimento, Paulo M. Donate, Sérgio E. Galembeck, Ricardo Vessecchi, Norberto P. Lopes

Journal:

Journal of Mass Spectrometry

Year:

2009

Language:

english

File:

PDF, 255 KB

english, 2009

33

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

Sérgio E. Galembeck,F. Matthias Bickelhaupt…

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 794 KB

english, 2014

34

ChemInform Abstract: Stable Ion Study of Protonated Cyclopenta[a]phenanthrenes. Structure—Reactivity Relationships and Charge Delocalization in the Carbocations.

Kenneth K. Laali, Sandro Hollenstein, Sergio E. Galembeck, Maurice M. Coombs

Journal:

Year:

2000

File:

PDF, 30 KB

2000

35

Computational study of pyrylium cation–water complexes: hydrogen bonds, resonance effects, and aromaticity

Renato L.T. Parreira, Sérgio E. Galembeck

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 372 KB

english, 2006

36

The resonance of cation and anion radicals with multiple conjugated bonds

Orenha, Renato Pereira, Vessecchi, Ricardo, Galembeck, Sérgio E.

Journal:

Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 734 KB

english, 2015

37

Metal–Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes

Galembeck, Sérgio E., Caramori, Giovanni F., Misturini, Alechania, Garcia, Leone C., Orenha, Renato P.

Journal:

Organometallics

Year:

2017

Language:

english

File:

PDF, 1.39 MB

english, 2017

38

Aplicação da química quântica computacional no estudo de processos químicos envolvidos em espectrometria de massas

Vessecchi, Ricardo, Galembeck, Sérgio E., Lopes, Norberto P., Nascimento, Paulo G. B. D., Crotti, Antônio E. M.

Journal:

Year:

2008

File:

PDF, 192 KB

2008

39

An ab initio study of the electronic and vibrational properties of pyrazine⋯HX and XH⋯pyrazine⋯HX hydrogen-bonded complexes (X=F, NC, Cl, CN and CCH)

João Bosco P. da Silva, Mário R. Silva Júnior, Mozart N. Ramos, Sérgio E. Galembeck

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 121 KB

english, 2005

40

Solvation of chromone using combined Discrete/SCRF models

Carlos Alemán, Sergio E. Galembeck

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 281 KB

english, 1998

41

Aromaticity and Homoaromaticity in Methano[10]annulenes

Caramori, Giovanni F., de Oliveira, Kleber T., Galembeck, Sérgio E., Bultinck, Patrick, Constantino, Mauricio G.

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 292 KB

english, 2007

42

Conformational preferences of non-nucleoside HIV-1 reverse transcriptase inhibitors

Renato L.T Parreira, Odonı́rio Abrahão Jr., Sérgio E Galembeck

Journal:

Year:

2001

Language:

english

File:

PDF, 180 KB

english, 2001

43

Characterization of Hydrogen Bonds in the Interactions between the Hydroperoxyl Radical and Organic Acids

Parreira, Renato L. T., Galembeck, Sérgio E.

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 149 KB

english, 2003

44

Phototransformation of cyanine dye with two chromophores. Effects of oxygen and dye concentration

Silva, Érika R., Pavanelli, André L.S., Mostaço, Leila B., Schaberle, Fábio A., Galembeck, Sergio E., Gonçalves, Pablo J., Costa, Rodrigo, Ferreira, Lucimara P., Nekipelova, Tatiana D., Kostyukov, Ale

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2017

Language:

english

File:

PDF, 712 KB

english, 2017

45

The fragmentation mechanism of five-membered lactones by electrospray ionisation tandem mass spectrometry

Antônio E.M Crotti, Tatiana Fonseca, Hui Hong, James Staunton, Sérgio E Galembeck, Norberto P Lopes, Paul J Gates

Journal:

International Journal of Mass Spectrometry

Year:

2004

Language:

english

File:

PDF, 105 KB

english, 2004

46

Electronic structure and gas-phase chemistry of protonated α- and β-quinonoid compounds: a mass spectrometry and computational study

Vessecchi, Ricardo, Emery, Flávio S., Lopes, Norberto P., Galembeck, Sérgio E.

Journal:

Rapid Communications in Mass Spectrometry

Year:

2013

Language:

english

File:

PDF, 1.34 MB

english, 2013

47

Density, degeneracy, delocalization-based index of aromaticity (D3BIA)

Firme, Caio L., Galembeck, Sergio E., Antunes, O. A. C., Esteves, Pierre M.

Journal:

Journal of the Brazilian Chemical Society

Year:

2007

File:

PDF, 864 KB

2007

48

Polytetrafluoroethylene surface modification by impregnation with iron and manganese oxides

Ricardo Baumhardt-Neto, Sérgio Emanuel Galembeck, Inés Joekes, Fernando Galembeck

Journal:

Journal of Polymer Science Part A: Polymer Chemistry

Year:

1981

Language:

english

File:

PDF, 3.26 MB

english, 1981

49

Resonance in compounds with multiple conjugated bonds

Renato P. Orenha, Sérgio E. Galembeck, Renato L. T. Parreira

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 488 KB

english, 2013

50

A New Exploration of the Torsional Energy Surface of n-Pentane Using Molecular Models and Molecular Modeling Software

Galembeck, Sérgio E., Caramori, Giovanni F., Romero, José Ricardo

Journal:

Journal of Chemical Education

Year:

2005

Language:

english

File:

PDF, 177 KB

english, 2005

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