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The Journal of Chemical Physics|June 3, 2016
G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elementsCleuton de Souza Silva, Douglas Henrique Pereira, Rogério Custodio
Journal of Molecular Modeling|August 25, 2019
A DFT-based analysis of adsorption of Cd<sup>2+</sup>, Cr<sup>3+</sup>, Cu<sup>2+</sup>, Hg<sup>2+</sup>, Pb<sup>2+</sup>, and Zn<sup>2+</sup>, on vanillin monomer: a study of the removal of metal ions from effluentsIgor Hernandes Santos Ribeiro, Davi Texeira Reis, Douglas Henrique Pereira
Journal of Molecular Modeling|April 1, 2014
A study of the rotational barriers for some organic compounds using the G3 and G3CEP theoriesDouglas Henrique Pereira, Lucas Colucci Ducati, Roberto Rittner, et al.
The Journal of Chemical Physics|July 27, 2011
Implementation of pseudopotential in the G3 theory for molecules containing first-, second-, and non-transition third-row atomsDouglas Henrique Pereira, Alex Freitas Ramos, Nelson Henrique Morgon, et al.
The Journal of Chemical Physics|December 11, 2013
Assessment of G3(MP2)∕∕B3 theory including a pseudopotential for molecules containing first-, second-, and third-row representative elementsCarlos Murilo Romero Rocha, Douglas Henrique Pereira, Nelson Henrique Morgon, et al.
Journal of Molecular Modeling|July 23, 2015
G3(MP2)-CEP theory and applications for compounds containing atoms from representative first, second and third row elements of the periodic tableDouglas Henrique Pereira, Carlos Murilo Romero Rocha, Nelson Henrique Morgon, et al.
Journal of Molecular Modeling|September 1, 2022
Brueckner Doubles variation of W1 theory (W1BD) adapted to pseudopotential: W1BDCEP theoryThiago Soares Silva, Állefe Barbosa Cruz, Karinna Gomes Oliveira Rodrigues, et al.
Water Research|October 8, 2019
Peracetic acid: Structural elucidation for applications in wastewater treatmentWesley Pereira da Silva, Thayrine Dias Carlos, Grasiele Soares Cavallini, et al.
Polymers|February 26, 2025
Triclosan Adsorption on Chitosan: Computational Study of Molecular Interactions and Potential for Environmental RemediationCleidiane Cardoso Teixeira, Anna Karla Dos Santos Pereira, Grasiele Soares Cavallini, et al.
Current Medicinal Chemistry|September 2, 2021
The Impact of Vaccination Worldwide on SARS-CoV-2 Infection: A Review on Vaccine Mechanisms, Results of Clinical Trials, Vaccinal Coverage and Interactions with Novel VariantsDouglas Henrique Pereira Damasceno, Arthur Aguiar Amaral, Cecília Andrade Silva, et al.
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