A theoretical study of adsorbed non-metallic atoms on magnesium chloride monolayers

by Lima, Igo Tôrres, Gargano, Ricardo, Guerini, Silvete, Paura, Edson Nunes Costa
Published 2021

A first-principles study of the substitutional doping of the MgCl2 monolayer for spintronics applications

by Lima, Igo Tôrres, Vasconcelos, Railson, Gargano, Ricardo, Paura, Edson Nunes Costa
Published 2021

Silicon carbide nanobelt : a novel molecule with potential technological application

by Barbosa, Leonardo de Souza, Leal, Luciano Almeida, Gargano, Ricardo, Azevedo, David Lima
Published 2021

BTEX adsorption on TiO2 anatase and rutile surfaces : DFT functionals

by Vargas, Marcos dos Reis, Castro, Elton Anderson Santos de, Politi, José Roberto dos Santos, Gargano, Ricardo, Martins, José Batista Lopes
Published 2019

Methanol, ethanol, propanol, and butanol adsorption on H-ZSM-5 zeolite : an ONIOM study

by Costa, Rogério José da, Castro, Elton Anderson Santos de, Politi, José Roberto dos Santos, Gargano, Ricardo, Martins, João Batista Lopes
Published 2019

Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T)

by Martins, João Batista Lopes, Quintino, Rabeshe P., Politi, José Roberto dos Santos, Sethio, Daniel, Gargano, Ricardo, Krakab, Elfi
Published 2021

Molecular modeling of cardanol-derived AChE inhibitors

by Silva, Mônica de Abreu, Sette, Camila D’Avila Braga, Kiametis, Alessandra Sofia, Romeiro, Luiz Antônio Soares, Gargano, Ricardo
Published 2021

CO2 adsorption in nitrogen-doped single-layered graphene quantum dots : a spectroscopic investigation

by Oliveira Neto, Pedro Henrique de, Rodrigues, João Paulo Caminha Cascudo, Sousa, Leonardo E. de, Gargano, Ricardo, Cunha, Wiliam Ferreira da
Published 2021

Hydrogen sulphide (H2S) and noble gases (Ng = He, Ne, Ar, Kr, Xe, Rn) complexes : a theoretical study of their dynamics, spectroscopy, and interactions

by Oliveira, Alan Leone de Araújo, Silva, Mônica de Abreu, Pirani, Fernando, Macedo, Luiz Guilherme Machado de, Gargano, Ricardo
Published 2021

Dynamics and spectroscopy of van der Waals complexes composed of ammonia and noble gases

by Sette, Camila D’Avila Braga, Cunha, Thiago Ferreira da, Kiametis, Alessandra Sofia, Martins, João Batista Lopes, Gargano, Ricardo
Published 2021

Structural, theoretical and biological activity of mono and binuclear nickel(II) complexes with symmetrical and asymmetrical 4,6-diacetylresorcinol-dithiocarbazate ligands

by Lima, Francielle Campos, Só, Yuri Alves de Oliveira, Gargano, Ricardo, Oliveira, Diêgo M. de, Gatto, Claudia Cristina
Published 2021

Ab Initio correlated all electron Dirac-Fock calculations for eka-francium fluoride (E119F)

by Miranda, Patrícia S., Mendes, Anna Paula S., Gomes, Jose S., Alves, Claudio N., Souza, Aguinaldo R. de, Sambrano, Julio R., Gargano, Ricardo, Macedo, Luiz Guilherme M. de
Published 2017

Synthesis, theoretical calculation and anticancer activity of 4,6-diacetylresorcinol-dithiocarbazates and their Copper(II) complexes

by Lima, Francielle Campos, Só, Yuri Alves de Oliveira, Gargano, Ricardo, Fujimori, Mahmi, França, Eduardo L., França, Adenilda C. Honorio, Gatto, Claudia Cristina
Published 2021

Dinâmica e espectroscopia de complexos de van der Waals formados pela amônia e gases nobres

by Silva, Camila D'Avila Braga
Published 2016

Estudo dinâmico, eletrônico e cinético dos complexos curcumina-metanol e teobromina-água

by Santin, Lauriane Gomes
Published 2018

Distribuição angular das seções de choque da reação H + Li2 : um estudo convergido de espalhamento quântico independente do tempo

by Rivera Vila, Henrique Vieira
Published 2018

Combinação de cálculos de estrutura eletrônica e espectroscopia rovibracional para o aprimoramento do Potencial Lennard-Jones na descrição de Complexos de van der Waals envolvendo...

by Oliveira, Rhuiago Mendes de
Published 2019

Estudo da interação de nanotubos de Nitreto de Boro funcionalizados com as moléculas de H2, CO e CO2

by Favero, Gabriel
Published 2015

Dinâmica, espectroscopia e tempo de vida dos complexos formados por metanol e gases nobres

by Silva, Romário Sousa
Published 2019

Estudo dos efeitos isotópicos em complexos formados por água e gases nobres

by Abrão Filho, Aziz
Published 2020