Rogério Custódio: search on Z-Library

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1

W1CEP theory for computational thermochemistry

Heerdt, Gabriel, Pereira, Douglas Henrique, Custodio, Rogério, Morgon, Nelson Henrique

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 963 KB

english, 2015

2

Quatro alternativas para resolver a equação de Schrödinger para o átomo de hidrogênio

Custodio, Rogério, Politi, José Roberto dos Santos, Segala, Maximiliano, Haiduke, Roberto Luiz Andrade, Cyrillo, Márcio

Journal:

Year:

2002

File:

PDF, 524 KB

2002

3

Electrical field effects on dipole moment, structure and energetic of (H2O)n (2 ⩽ n ⩽ 15) cluster

Evelyn J.L. Toledo, Rogério Custodio, Teodorico C. Ramalho, Maria Eugênia Garcia Porto, Zuy M. Magriotis

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 548 KB

english, 2009

4

Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(1 1 0) surfaces and the interaction with O2

Fabrı́cio R Sensato, Rogério Custódio, Mònica Calatayud, Armando Beltrán, Juan Andrés, Julio R Sambrano, Elson Longo

Journal:

Surface Science

Year:

2002

Language:

english

File:

PDF, 231 KB

english, 2002

5

A Novel Computational Approach for Development of Highly Selective Fenitrothion Imprinted Polymer: Theoretical Predictions and Experimental Validations

Barros, Leonardo Augusto de, Pereira, Leandro Alves, Custódio, Rogério, Rath, Susanne

Journal:

Journal of the Brazilian Chemical Society

Year:

2014

File:

PDF, 1.00 MB

2014

6

Fully Anharmonic Vibrational Resonance Raman Spectrum of Diatomic Systems

Costa, Gustavo J., Borin, Antonio Carlos, Custodio, Rogério, Vidal, Luciano N.

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.53 MB

english, 2018

7

Conformational isomerism and electronic interactions in some α-aminoketones

Lucas C. Ducati, Roberto Rittner, Rogério Custódio

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 396 KB

english, 2006

8

A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories

Pereira, Douglas Henrique, Ducati, Lucas Colucci, Rittner, Roberto, Custodio, Rogério

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 774 KB

english, 2014

9

Regioselectivity of the nitration of phenol by acetyl nitrate adsorbed on silica gel

J.Augusto R Rodrigues, Antonio Pedro de Oliveira Filho, Paulo J.S Moran, Rogério Custódio

Journal:

Year:

1999

Language:

english

File:

PDF, 359 KB

english, 1999

10

Correlação entre os achados estroboscópicos, perceptivo-auditivos e acústicos em adultos sem queixa vocal

Corazza, Vera Regina, Silva, Vanessa Figueiredo Custódio da, Queija, Débora S., Dedivitis, Rogério A., Barros, Ana Paula Brandão

Journal:

Revista Brasileira de Otorrinolaringologia

Year:

2004

File:

PDF, 45 KB

2004

11

Introduction

Kaline Coutinho, Benedito J. Costa Cabral, Rogério Custodio

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 72 KB

english, 2011

12

An investigation of the electronic structure of some 3-monosubstituted-2-methylpropenes through computational chemistry and photoelectron spectroscopy

Ivânia T.A. Schuquel, Lucas C. Ducati, Rogério Custodio, Roberto Rittner, Dieter Klapstein

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 223 KB

english, 2008

13

Valence basis sets for tellurium: Weight functions as a basis set development tool and initial molecular applications

Rogério Custodio, William M. Davis, John D. Goddard

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 779 KB

english, 1994

14

A theoretical study of isomeric C6H4Br− ions

Nelson H. Morgon, Rogério Custodio, JoséM. Riveros

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 586 KB

english, 1995

15

Micro-determination of long-chain fatty acids in plasma and tissues by photometric titration

Boodts, Julien F. C., Custódio, Rogério, Migliorini, Renato H.

Journal:

The Analyst (Royal Society of Chemistry)

Year:

1980

Language:

english

File:

PDF, 234 KB

english, 1980

16

G3(MP2)-CEP theory and applications for compounds containing atoms from representative first, second and third row elements of the periodic table

Pereira, Douglas Henrique, Rocha, Carlos Murilo Romero, Morgon, Nelson Henrique, Custodio, Rogério

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 1.20 MB

english, 2015

17

Theoretical investigation of the conformational behaviour of 3-monosubstituted 2-methylpropenes

Ivânia T.A. Schuquel, Rogério Custodio, Paulo R. Oliveira, Roberto Rittner

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 155 KB

english, 2003

18

Double ionization energies of HCl, HBr, Cl2 and Br2 molecules: An MRCI study

Lívia Streit, Francisco B.C. Machado, Rogério Custodio

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 178 KB

english, 2011

19

Exploring the G3 method in the study of rotational barrier of some simple molecules

Lucas Colucci Ducati, Rogério Custodio, Roberto Rittner

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 217 KB

english, 2010

20

Rediscovery and range extension of the black-shouldered opossum Caluromysiops irrupta Sanborn, 1951 (Didelphimorphia, Didelphidae) in Brazil

Barbosa, Júlia Laterza, Custódio, Rogério José, Brandão, Marcus Vinicius

Journal:

Year:

2015

Language:

english

File:

PDF, 368 KB

english, 2015

21

G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements

Silva, Cleuton de Souza, Pereira, Douglas Henrique, Custodio, Rogério

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 955 KB

english, 2016

22

G3(MP2)//B3-SBK: A revision of a composite theory for calculations of thermochemical properties including some non-transition elements beyond the fourth period

Casimiro Leal, Régis, Custodio, Rogério

Journal:

Computational and Theoretical Chemistry

Year:

2018

Language:

english

File:

PDF, 1023 KB

english, 2018

23

An interpretation of the phenol nitration mechanism in the gas phase using G3(MP2)//B3-CEP theory

Rocha, Carlos Murilo Romero, Rodrigues, José Augusto Rosário, Moran, Paulo José Samenho, Custodio, Rogério

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

24

Synthesis of conjugated polymers with directly coupled 2-butyloctyloxybenzodithiophene and benzothiadazole units for application as active layers in organic solar cells

Arias, Jose Jonathan Rubio, Crociani, Laura, Soares, Igor Tenório, Mota, Isabela Custodio, Santos, Bianca Pedroso Silva, Valaski, Rogério, Marques, Maria De Fátima Vieira

Journal:

Reactive and Functional Polymers

Year:

2019

Language:

english

File:

PDF, 5.34 MB

english, 2019

25

Evaluation of the Dot-ELISA as a diagnostic test for human strongyloidiasis based on the detection of IgA in saliva

Bosqui, Larissa Rodrigues, Corral, Marcelo Andreetta, Levy, Débora, Bydlowski, Sérgio Paulo, Gryschek, Ronaldo César Borges, Custodio, Luiz Antonio, Pavanelli, Wander Rogério, Conchon-Costa, Ivete, Co

Journal:

Year:

2019

File:

PDF, 744 KB

2019

26

Analysis of the segmented contraction of basis functions using density matrix theory

Rogério Custodio, André Severo Pereira Gomes, Fabrício Ronil Sensato, Júlio Murilo dos Santos Trevas

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 295 KB

english, 2006

27

A method for the determination of the Hartree-Fock limit: application to closed-shell atoms

Nelson Henrique Morgon, Rogério Custodio, JoséRachid Mohallem

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 437 KB

english, 1997

28

Determination of Enthalpies of Formation of Fatty Acids and Esters by Density Functional Theory Calculations with an Empirical Correction

Silva, Marcos V. D., Custodio, Rogério, Reis, Miria Hespanhol Miranda

Journal:

Industrial & Engineering Chemistry Research

Year:

2015

Language:

english

File:

PDF, 476 KB

english, 2015

29

Comparative study of BxNyCz nanojunctions fragments

Batista, Fabiana Aparecida de Souza, Manzanares, Raquel Dastre, Reis Júnior, Magno dos, Custódio, Rogério, Carvalho, Ana Claudia Monteiro

Journal:

Materials Research

Year:

2011

Language:

english

File:

PDF, 655 KB

english, 2011

30

Synthesis of conjugated polymers with directly coupled 2-butyloctyloxybenzodithiophene and benzothiadazole units for application as active layers in organic solar cells

Arias, Jose Jonathan Rubio, Crociani, Laura, Soares, Igor Tenório, Mota, Isabela Custodio, Santos, Bianca Pedroso Silva, Valaski, Rogério, Marques, Maria De Fátima Vieira

Journal:

Reactive and Functional Polymers

Year:

2019

File:

PDF, 5.34 MB

2019

31

Electroactive Properties of 1-propyl-3-methylimidazolium Ionic Liquid Covalently Bonded on Mesoporous Silica Surface: Development of an Electrochemical Sensor Probed for NADH, Dopamine and Uric Acid Detection

Maroneze, Camila M., Rahim, Abdur, Fattori, Natália, da Costa, Luiz P., Sigoli, Fernando A., Mazali, Italo O., Custodio, Rogério, Gushikem, Yoshitaka

Journal:

Electrochimica Acta

Year:

2014

Language:

english

File:

PDF, 1.14 MB

english, 2014

32

Substituent effect in n-hexanes and n-hexatrienes based on core-electron binding energies calculated with density-functional theory

Yuji Takahata, Alberto Dos Santos Marques, Rogério Custodio

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 487 KB

english, 2009

33

Polycarbonitrile: A semiempirical, ab initio and density functional study of molecular stability

Jordan Del Nero, Bernardo Laks, Rogério Custodio

Journal:

Synthetic Metals

Year:

1997

Language:

english

File:

PDF, 227 KB

english, 1997

34

Resolvendo a equação de Schrödinger utilizando procedimentos numéricos fundamentais

Custodio, Rogério, Custodio, Maurício Ramalho, Creatto, Eduardo José

Journal:

Year:

2012

File:

PDF, 612 KB

2012

35

The role of phytochromes in cadmium stress responses in tomato

Gaion, Lucas Aparecido, Lorevice, Paulo Guilherme, Monteiro, Carolina Cristina, Gavassi, Marina Alves, D’Amico-Damião, Victor, Gratão, Priscila Lupino, Gasparino, Eduardo Custódio, Carvalho, Rogério F

Journal:

Year:

2017

Language:

english

File:

PDF, 1.23 MB

english, 2017

36

A universal basis set to be used along with pseudopotentials

Marcelo Giordan, Rogério Custodio, Nelson H. Morgon

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 486 KB

english, 1997

37

Theoretical studies of Nile Red by ab initio and semiempirical methods

Lauro Camargo Dias Jr., Rogério Custodio, Francisco B.T Pessine

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 133 KB

english, 1999

38

Sulfide and Sulfoxide Oxidations by Mono- and Diperoxo Complexes of Molybdenum. A Density Functional Study

Sensato, Fabrício R., Custodio, Rogério, Longo, E., Safont, Vicent S., Andres, Juan

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 187 KB

english, 2003

39

Comments on the quantum Monte Carlo method and the density matrix theory

dos Santos Politi, José Roberto, Custodio, Rogério

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 70 KB

english, 2003

40

Assessment of pKa Determination for Monocarboxylic Acids With An Accurate Theoretical Composite Method: G4cep

Silva, Cleuton de Souza, Custodio, Rogério

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 469 KB

english, 2019

41

The use of the generator coordinate method for designing basis set. Application to oxo-diperoxo molybdenum complexes

Fabrı́cio R Sensato, Rogério Custodio, Quezia B Cass, Elson Longo, Marcelo Z Hernandes, Ricardo L Longo, Juan Andrés

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 252 KB

english, 2002

42

Infrared Vibrational Intensities, Polar Tensors, and Core Electron Energies of the Group IV Hydrides and the Fluorosilanes

de Oliveira, Anselmo E., Guadagnini, Paulo H., Custódio, Rogério, Bruns, Roy E.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 78 KB

english, 1998

43

An Investigation of Chlorophenol Proton Affinities and Their Influence on the Biological Activity of Microorganisms

Basheer, Muftah M., Custodio, Rogério, Volpe, Pedro L. O., Rittner, Roberto

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 73 KB

english, 2006

44

Implementation of pseudopotential in the G3 theory for molecules containing first-, second-, and non-transition third-row atoms

Pereira, Douglas Henrique, Ramos, Alex Freitas, Morgon, Nelson Henrique, Custodio, Rogério

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 473 KB

english, 2011

45

Assessment of a composite method based on selected density functional theory methods and complete basis set extrapolation formulas

Chinini, Guilherme Luiz, Custodio, Rogério

Journal:

International Journal of Quantum Chemistry

Year:

2019

File:

PDF, 1.56 MB

2019

46

Why Do Peroxomolybdenum Complexes Chemoselectively Oxidize the Sulfur Centers of Unsaturated Sulfides and Sulfoxides? A DFT Analysis

Fabrício R. Sensato, Rogério Custodio, Elson Longo, Vicent S. Safont, Juan Andrés

Journal:

European Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 151 KB

english, 2005

47

An electron transfer mechanism of O4 formation

Antonio Carlos Pavão, José Carlos de F. Paula, Rogério Custodio, Carton A. Taft

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 117 KB

english, 2003

48

Uma abordagem simplificada do método Monte Carlo Quântico: da solução de integrais ao problema da distribuição eletrônica

Angelotti, Wagner Fernando Delfino, Fonseca, André Luiz da, Torres, Guilherme Barreto, Custodio, Rogério

Journal:

Year:

2008

File:

PDF, 470 KB

2008

49

Reliable Hellmann–Feynman forces for nuclei-centered GTO basis of standard size

Reinaldo O. Vianna, Rogério Custódio, Hélio Chacham, José Rachid Mohallem

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 360 KB

english, 1992

50

Accurate calculation of C1s core electron binding energies of some carbon hydrates and substituted benzenes

Yuji Takahata, Alberto dos Santos Marques, Rogério Custodio

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 198 KB

english, 2010

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