Sergio E. Galembeck : rechercher sur 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:

Année:

2012

Langue:

english

Fichier:

PDF, 3.99 MB

english, 2012

2

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

Année:

2009

Langue:

english

Fichier:

PDF, 513 KB

english, 2009

3

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

Orenha, Renato P., Galembeck, Sérgio E.

Journal:

Journal of Chemical Education

Année:

2014

Langue:

english

Fichier:

PDF, 996 KB

english, 2014

4

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

Année:

2017

Langue:

english

Fichier:

PDF, 6.09 MB

english, 2017

5

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:

Année:

2000

Fichier:

PDF, 30 KB

2000

6

On the Origin of Red and Blue Shifts of XH and CH Stretching Vibrations in Formic Acid (Formate Ion) and Proton Donor Complexes

Renato Luis Tâme Parreira, Sérgio Emanuel Galembeck, Pavel Hobza

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 222 KB

english, 2007

7

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

Année:

2001

Langue:

english

Fichier:

PDF, 244 KB

english, 2001

8

Fragmentation of diketopiperazines from Aspergillus fumigatus by electrospray ionization tandem mass spectrometry (ESI-MS/MS)

Niege A. J. C. Furtado, Ricardo Vessecchi, José Carlos Tomaz, Sérgio E. Galembeck, Jairo K. Bastos, Norberto P. Lopes, Antonio E. M. Crotti

Journal:

Journal of Mass Spectrometry

Année:

2007

Langue:

english

Fichier:

PDF, 299 KB

english, 2007

9

Gas-phase dissociation of 1,4-naphthoquinone derivative anions by electrospray ionization tandem mass spectrometry

Ricardo Vessecchi, Carlos A. Carollo, José N. C. Lopes, Antonio E. M. Crotti, Norberto P. Lopes, Sérgio E. Galembeck

Journal:

Journal of Mass Spectrometry

Année:

2009

Langue:

english

Fichier:

PDF, 189 KB

english, 2009

10

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

Année:

2009

Langue:

english

Fichier:

PDF, 255 KB

english, 2009

11

Redox and spectral properties of [Ru(trpy)L(H2O)](ClO4)2 [trpy = 2,2′:66″-terpyridine L = 4,4′-(OMe)2bpy; 4,4′-(NO2)2bpy]: A comparative computational study

M. Navarro, Sergio E. Galembeck, JoséR. Romero, Wagner F. De Giovani

Journal:

Année:

1996

Langue:

english

Fichier:

PDF, 531 KB

english, 1996

12

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

Année:

2005

Langue:

english

Fichier:

PDF, 121 KB

english, 2005

13

Computational study of formamide–water complexes using the SAPT and AIM methods

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

Journal:

Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2006

14

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

Année:

2006

Langue:

english

Fichier:

PDF, 424 KB

english, 2006

15

Electric potential decay on polyethylene: Role of atmospheric water on electric charge build-up and dissipation

Thiago Augusto de Lima Burgo, Camila Alves Rezende, Sérgio Bertazzo, André Galembeck, Fernando Galembeck

Journal:

Journal of Electrostatics

Année:

2011

Langue:

english

Fichier:

PDF, 1.59 MB

english, 2011

16

Silver nanoparticle in situ growth within crosslinked poly(ester-co-styrene) induced by UV irradiation: aggregation control with exposure time

Antonio M.B. Silva, Cid B. de Araújo, Sérgio Santos-Silva, André Galembeck

Journal:

Journal of Physics and Chemistry of Solids

Année:

2007

Langue:

english

Fichier:

PDF, 1020 KB

english, 2007

17

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

Année:

2006

Langue:

english

Fichier:

PDF, 372 KB

english, 2006

18

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

Année:

1998

Langue:

english

Fichier:

PDF, 169 KB

english, 1998

19

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

Elaine A Armelin, Paulo Marcos Donate, Sergio E Galembeck

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 115 KB

english, 2000

20

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

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

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 180 KB

english, 2001

21

Solvation of chromone using combined Discrete/SCRF models

Carlos Alemán, Sergio E. Galembeck

Journal:

Chemical Physics

Année:

1998

Langue:

english

Fichier:

PDF, 281 KB

english, 1998

22

Computational study of the electronic excitations of some anthocyanidins

Grace K Pereira, Sérgio E Galembeck

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

1998

Langue:

english

Fichier:

PDF, 121 KB

english, 1998

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

Année:

2010

Langue:

english

Fichier:

PDF, 727 KB

english, 2010

24

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

Année:

1981

Langue:

english

Fichier:

PDF, 3.26 MB

english, 1981

25

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

Année:

2012

Langue:

english

Fichier:

PDF, 858 KB

english, 2012

26

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

Année:

2010

Langue:

english

Fichier:

PDF, 261 KB

english, 2010

27

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

Année:

2004

Langue:

english

Fichier:

PDF, 105 KB

english, 2004

28

A theoretical and mass spectrometry study of the fragmentation of mycosporine-like amino acids

Karina H.M. Cardozo, Ricardo Vessecchi, Valdemir M. Carvalho, Ernani Pinto, Paul J. Gates, Pio Colepicolo, Sérgio E. Galembeck, Norberto P. Lopes

Journal:

International Journal of Mass Spectrometry

Année:

2008

Langue:

english

Fichier:

PDF, 909 KB

english, 2008

29

Free energies of solvation for peptides and polypeptides using SCRF methods

Carlos Alemán, Hamilton Mitsugu Ishiki, Elaine A. Armelin, Odonı́rio Abrahão Junior, Sergio E. Galembeck

Journal:

Chemical Physics

Année:

1998

Langue:

english

Fichier:

PDF, 212 KB

english, 1998

30

Computational studies in aqueous and chloroform solutions of complex organic solutes: distinctive effects of the solvent on solutes with small chemical differences

Elaine A Armelin, Carlos Alemán, Paulo M Donate, Sergio E Galembeck

Journal:

Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 119 KB

english, 1999

31

PAPQMD parametrization of molecular systems with cyclopropyl rings: Conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid

Carlos Alemán, Jordi Casanovas, Sergio E. Galembeck

Journal:

Journal of Computer-Aided Molecular Design

Année:

1998

Langue:

english

Fichier:

PDF, 374 KB

english, 1998

32

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

Année:

1993

Langue:

english

Fichier:

PDF, 622 KB

english, 1993

33

An electronic and vibrational study of the cyclopropenyl ion and its fluoroderivatives

Sérgio E. Galembeck, Rui Fausto

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1995

Langue:

english

Fichier:

PDF, 1.66 MB

english, 1995

34

Electronic structure of hydroxylated derivatives of the flavylium cation

Grace K. Pereira, Paulo M. Donate, Sergio E. Galembeck

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1996

Langue:

english

Fichier:

PDF, 762 KB

english, 1996

35

Electronic structure of chromone and its hydroxylated derivatives on positions 2 and 3

Hamilton M Ishiki, Paulo M Donate, Sergio E Galembeck

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1998

Langue:

english

Fichier:

PDF, 217 KB

english, 1998

36

Effects of substitution for hydroxyl in the B-ring of the flavylium cation

Grace K. Pereira, Paulo M. Donate, Sérgio E. Galembeck

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1997

Langue:

english

Fichier:

PDF, 776 KB

english, 1997

37

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

Odonı́rio Abrahão-Júnior, Carlos Alemán, Sérgio Emanuel Galembeck

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1999

Langue:

english

Fichier:

PDF, 94 KB

english, 1999

38

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

Année:

2007

Langue:

english

Fichier:

PDF, 292 KB

english, 2007

39

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

Année:

2011

Langue:

english

Fichier:

PDF, 2.75 MB

english, 2011

40

Gas-phase reactivity of 2-hydroxy-1,4-naphthoquinones: a computational and mass spectrometry study of lapachol congeners

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

Journal:

Biological Mass Spectrometry = Journal of Mass Spectrometry (Wiley)

Année:

2012

Langue:

english

Fichier:

PDF, 780 KB

english, 2012

41

Electrospray mass spectrometric and DFT study of substituent effects in Ag+ complexation to polycyclic aromatic hydrocarbons (PAHs)

Laali, Kenneth K., Hupertz, Scott, Temu, Alice G., Galembeck, Sergio E.

Journal:

Organic & Biomolecular Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 254 KB

english, 2005

42

Resonance in compounds with multiple conjugated bonds

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

Journal:

Structural Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 488 KB

english, 2013

43

Reactivity, photolability, and computational studies of the ruthenium nitrosyl complex with a substituted cyclam fac-[Ru(NO)Cl2(κ3N4,N8,N11(1-carboxypropyl)cyclam)]Cl·H2O

Doro, Fabio G., Pepe, Iuri M., Galembeck, Sergio E., Carlos, Rose M., da Rocha, Zenis N., Bertotti, Mauro, Tfouni, Elia

Journal:

Dalton Transactions

Année:

2011

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2011

44

Electrostatic Contributions in the Increased Compatibility of Polymer Blends

Linares, Elisângela M., Jannuzzi, Sergio A. V., Galembeck, Fernando

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 4.34 MB

english, 2011

45

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

Année:

2008

Langue:

english

Fichier:

PDF, 86 KB

english, 2008

46

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

Année:

2007

Langue:

english

Fichier:

PDF, 20 KB

english, 2007

47

Substituent Effects and Charge Delocalization Mode in Chrysenium, Benzo[ c ]phenanthrenium, and Benzo[ g ]chrysenium Cations: A Stable Ion and Electrophilic Substitution Study

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

Journal:

Journal of Organic Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 145 KB

english, 2001

48

Persistent Oxidation Dications from Twisted Fluoranthenes, Benzo[ k ]fluoranthene and Dimethyldibenzo[ j . l ]fluoranthene: Charge Delocalization Mode, Tropicity, and Formation of Novel 8,8‘-Bifluoranthenyls. An NMR and Theoretical Study

Laali, Kenneth K., Okazaki, Takao, Galembeck, Sergio E., Siegel, Jay S.

Journal:

Journal of Organic Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 341 KB

english, 2001

49

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

Année:

2014

Langue:

english

Fichier:

PDF, 794 KB

english, 2014

50

Computational Study about Through-Bond and Through-Space Interactions in [2.2]Cyclophanes

Caramori, Giovanni F., Galembeck, Sérgio E.

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 408 KB

english, 2007