Sérgio E. Galembeck: search on Z-Library

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51

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

Year:

1998

Language:

english

File:

PDF, 374 KB

english, 1998

52

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

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

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 1.09 MB

english, 2006

53

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

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

54

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

Year:

2001

Language:

english

File:

PDF, 145 KB

english, 2001

55

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

Year:

2001

Language:

english

File:

PDF, 341 KB

english, 2001

56

Novel Examples of Three-Dimensional Aromaticity: 1,3-Dehydro-silaadamantane Dications. A Theoretical (DFT, GIAO NMR, NICS) Study †

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

Journal:

Journal of Organic Chemistry

Year:

2002

Language:

english

File:

PDF, 248 KB

english, 2002

57

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

Sérgio E. Galembeck, Rui Fausto

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 1.66 MB

english, 1995

58

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

Year:

1997

Language:

english

File:

PDF, 776 KB

english, 1997

59

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

Year:

2005

Language:

english

File:

PDF, 254 KB

english, 2005

60

Computationally Designed 1,2,4-Triazolylidene-Derived N-Heterocyclic Olefins for CO 2 Capture, Activation, and Storage

de Lima Batista, Ana Paula, de Oliveira-Filho, Antonio G. S., Galembeck, Sérgio Emanuel

Journal:

Year:

2017

Language:

english

File:

PDF, 3.04 MB

english, 2017

61

How does the total charge and isomerism influence the Ru–NO ammine complexes?

Pereira Orenha, Renato, Tfouni, Elia, Galembeck, Sérgio Emanuel

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 8.95 MB

english, 2018

62

How does the pH influences the Ru-NO coordination compounds?

Orenha, Renato P., Galembeck, Sergio E.

Journal:

International Journal of Quantum Chemistry

Year:

2019

File:

PDF, 1.85 MB

2019

63

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

Year:

2007

Language:

english

File:

PDF, 299 KB

english, 2007

64

Electronic structure of hydroxylated derivatives of the flavylium cation

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

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 762 KB

english, 1996

65

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)

Year:

2012

Language:

english

File:

PDF, 780 KB

english, 2012

66

Stable ion study of protonated cyclopenta[a]phenanthrenes. Structure–reactivity relationships and charge delocalization in the carbocations †

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

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2000

Language:

english

File:

PDF, 359 KB

english, 2000

67

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

Year:

2007

Language:

english

File:

PDF, 408 KB

english, 2007

68

Qual o sítio de reação? Um experimento computacional

Galembeck, Sérgio E., Caramori, Giovanni F.

Journal:

Year:

2003

File:

PDF, 184 KB

2003

69

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

Year:

2008

Language:

english

File:

PDF, 909 KB

english, 2008

70

Intramolecular Electronic and Hydrogen-Bonding Interactions in N,N‘ -Dimethyl-2,3-di- O -methyl- l -tartaramide

Alemán, Carlos, Galembeck, Sergio E.

Journal:

Journal of Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 167 KB

english, 1997

71

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

Year:

1999

Language:

english

File:

PDF, 119 KB

english, 1999

72

Electrostatic Contributions in the Increased Compatibility of Polymer Blends

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

Journal:

Year:

2011

Language:

english

File:

PDF, 4.34 MB

english, 2011

73

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:

Year:

1996

Language:

english

File:

PDF, 531 KB

english, 1996

74

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

Year:

2011

Language:

english

File:

PDF, 1.59 MB

english, 2011

75

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

Year:

1998

Language:

english

File:

PDF, 212 KB

english, 1998

76

On the Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism

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

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 6.39 MB

english, 2018

77

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

Year:

1998

Language:

english

File:

PDF, 217 KB

english, 1998

78

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

Year:

2009

Language:

english

File:

PDF, 189 KB

english, 2009

79

How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes?

Orenha, Renato Pereira, Santiago, Régis Tadeu, Haiduke, Roberto Luiz Andrade, Galembeck, Sérgio Emanuel

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 1.02 MB

english, 2017

80

A new mechanism for the electrostatic charge build-up and dissipation in dielectrics

Soares, Lucas C., Bertazzo, Sérgio, Burgo, Thiago A. L., Baldim, Victor, Galembeck, Fernando

Journal:

Journal of the Brazilian Chemical Society

Year:

2008

Language:

english

File:

PDF, 560 KB

english, 2008

81

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:

Year:

2007

Language:

english

File:

PDF, 222 KB

english, 2007

82

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

Year:

2007

Language:

english

File:

PDF, 1020 KB

english, 2007

83

A Computational Study of [2.2]Cyclophanes

Caramori, Giovanni F., Galembeck, Sérgio E., Laali, Kenneth K.

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 329 KB

english, 2005

84

MESOIONIC 2-N-CYCLOALKYLAMINO-5-ALKYL-1,3-DITHIOLIUM-4-THIOLATES

De Oliveira, Magali B., Miller, Joseph, Pereira, Arnaldo B., Galembeck, Sérgio E., De Moura, Gustavo L. C., Simas, Alfredo M.

Journal:

Phosphorus Sulfur and Silicon and the Related Elements

Year:

1996

Language:

english

File:

PDF, 509 KB

english, 1996

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