ResearcherID Thomson Reuters  

Custodio, Rogerio
Create a ResearcherID badge for this researcher View publications analytics for this researcher
Close
ResearcherID: G-1858-2012
Other Names: Custodio, R.
URL: http://www.researcherid.com/rid/G-1858-2012
Subject: Chemistry; Physics
Keywords: electronic structure; quantum monte carlo; ab initio calculations; computational method development; basis set; thermochemical properties; spectroscopic properties; molecular structure
ORCID: http://orcid.org/0000-0002-1824-2521
My Institutions (more details)
Primary Institution:
Sub-org/Dept: Department of Physical Chemistry
Role:
 
 

This list contains papers that I have authored.

publication(s)  
First Page Previous Page Page   of  8  Go Next Page Last Page
  Sort by:    Results per page: 
1.  Title: Design of a New Molecularly Imprinted Polymer Selective for Hydrochlorothiazide Based on Theoretical Predictions Using Gibbs Free Energy
 Author(s): Barros, L. A.; Custodio, R.; Rath, S.
 Source: Journal of the Brazilian Chemical Society Volume: 27 Issue: 12 Pages: 2300-2311 Published: 2016
 Times Cited: 1
 DOI: 10.5935/0103-5053.20160126
added
18-May-17
2.  Title: G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements
 Author(s): Silva, C. D.; Pereira, D. H.; Custodio, R.
 Source: Journal of Chemical Physics Volume: 144 Issue: 20 Published: 2016
 Times Cited: 0
 DOI: 10.1063/1.4952427
added
18-May-17
3.  Title: A SIMPLIFIED ROUTE TO OBTAIN THE HARTREE AND HARTREE-FOCK EQUATIONS
 Author(s): Custodio, Rogerio
 Source: Quimica Nova Volume: 38 Issue: 7 Pages: 995-1001 Published: 2015
 Times Cited: 0
 DOI: 10.5935/0100-4042.20150083
added
25-Nov-15
4.  Title: Determination of Enthalpies of Formation of Fatty Acids and Esters by Density Functional Theory Calculations with an Empirical Correction
 Author(s): Silva, Marcos V. D.; Custodio, Rogerio; Miranda Reis, Miria Hespanhol
 Source: Industrial & Engineering Chemistry Research Volume: 54 Issue: 39 Pages: 9545-9549 Published: 2015
 Times Cited: 1
 DOI: 10.1021/acs.iecr.5b02580
added
25-Nov-15
5.  Title: G3(MP2)-CEP theory and applications for compounds containing atoms from representative first, second and third row elements of the periodic table
 Author(s): Pereira, Douglas Henrique; Romero Rocha, Carlos Murilo; Morgon, Nelson Henrique; et al.
 Source: Journal of Molecular Modeling Volume: 21 Issue: 8 Published: 2015
 Times Cited: 1
 DOI: 10.1007/s00894-015-2757-3
added
25-Nov-15
6.  Title: UMA FORMA SIMPLIFICADA DE DEDUZIR AS EQUAÇÕES DE HARTREE E HARTREE-FOCK
 Title: A simplified route to obtain the hartree and hartree-fock equations
 Author(s): Custodio, Rogério
 Source: Química Nova Volume: 38 Issue: 7 Pages: 995-1001 Published: 2015
 DOI: 10.5935/0100-4042.20150083
added
21-Oct-15
7.  Title: W1CEP theory for computational thermochemistry
 Author(s): Heerdt, G.; Pereira, D. H.; Custodio, R.; et al.
 Source: Computational and Theoretical Chemistry Volume: 1067 Pages: 84-92 Published: 2015
 Times Cited: 2
 DOI: 10.1016/j.comptc.2015.05.011
added
21-Oct-15
8.  Title: A Novel Computational Approach for Development of Highly Selective Fenitrothion Imprinted Polymer: Theoretical Predictions and Experimental Validations
 Author(s): de Barros, Leonardo Augusto; Pereira, Leandro Alves; Custodio, Rogerio; et al.
 Source: Journal of the Brazilian Chemical Society Volume: 25 Issue: 4 Pages: 619-628 Published: APR 2014
 Times Cited: 4
 DOI: 10.5935/0103-5053.20140009
added
12-Aug-15
9.  Title: A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories
 Author(s): Pereira, Douglas Henrique; Ducati, Lucas Colucci; Rittner, Roberto; et al.
 Source: Journal of Molecular Modeling Volume: 20 Issue: 4 Published: APR 2014
 Times Cited: 4
 DOI: 10.1007/s00894-014-2199-3
added
12-Aug-15
10.  Title: An interpretation of the phenol nitration mechanism in the gas phase using G3(MP2)//B3-CEP theory
 Author(s): Romero Rocha, Carlos Murilo; Rosario Rodrigues, Jose Augusto; Samenho Moran, Paulo Jose; et al.
 Source: Journal of Molecular Modeling Volume: 20 Issue: 12 Published: DEC 2014
 Times Cited: 2
 DOI: 10.1007/s00894-014-2524-x
added
12-Aug-15
publication(s)  
First Page Previous Page Page   of  8  Go Next Page Last Page
  Sort by:    Results per page: