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Browsing by Author Gargano, Ricardo

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Showing results 1 to 16 of 16
Issue DateData de defesaTitleAuthor(s)Orientador(es)Coorientador(es):
2012-Ab Initio correlated all electron Dirac-Fock calculations for eka-francium fluoride (E119F)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--
2020-Accurate spectroscopic properties by diffusion quantum Monte Carlo calculationsCarvalho, Cassius Marcellus Costa; Gargano, Ricardo; Martins, João Batista Lopes; Politi, José Roberto dos Santos--
2019-BTEX adsorption on TiO2 anatase and rutile surfaces : DFT functionalsVargas, Marcos dos Reis; Castro, Elton Anderson Santos de; Politi, José Roberto dos Santos; Gargano, Ricardo; Martins, José Batista Lopes--
14-Feb-2019-CO2 adsorption in nitrogen-doped single-layered graphene quantum dots : a spectroscopic investigationOliveira Neto, Pedro Henrique de; Rodrigues, João Paulo Caminha Cascudo; Sousa, Leonardo E. de; Gargano, Ricardo; Cunha, Wiliam Ferreira da--
22-Feb-2020-Combining electronic properties and virtual screening for the development of new antioxidants : Trolox-like compounds as application exampleSó, Yuri Alves de Oliveira; Silva, Mônica de Abreu; Carvalho, Fernando M.; Kiametis, Alessandra Sofia; Gargano, Ricardo--
28-May-2020-Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T)Martins, João Batista Lopes; Quintino, Rabeshe P.; Politi, José Roberto dos Santos; Sethio, Daniel; Gargano, Ricardo; Krakab, Elfi--
24-Apr-2019-Dynamics and spectroscopy of van der Waals complexes composed of ammonia and noble gasesSette, Camila D’Avila Braga; Cunha, Thiago Ferreira da; Kiametis, Alessandra Sofia; Martins, João Batista Lopes; Gargano, Ricardo--
2020-A first-principles study of the substitutional doping of the MgCl2 monolayer for spintronics applicationsLima, Igo Tôrres; Vasconcelos, Railson; Gargano, Ricardo; Paura, Edson Nunes Costa--
29-May-2020-Hydrogen sulphide (H2S) and noble gases (Ng = He, Ne, Ar, Kr, Xe, Rn) complexes : a theoretical study of their dynamics, spectroscopy, and interactionsOliveira, Alan Leone de Araújo; Silva, Mônica de Abreu; Pirani, Fernando; Macedo, Luiz Guilherme Machado de; Gargano, Ricardo--
2019-Methanol, ethanol, propanol, and butanol adsorption on H-ZSM-5 zeolite : an ONIOM studyCosta, Rogério José da; Castro, Elton Anderson Santos de; Politi, José Roberto dos Santos; Gargano, Ricardo; Martins, João Batista Lopes--
2019-Molecular modeling of cardanol-derived AChE inhibitorsSilva, Mônica de Abreu; Sette, Camila D’Avila Braga; Kiametis, Alessandra Sofia; Romeiro, Luiz Antônio Soares; Gargano, Ricardo--
11-Nov-2019-Silicon carbide nanobelt : a novel molecule with potential technological applicationBarbosa, Leonardo de Souza; Leal, Luciano Almeida; Gargano, Ricardo; Azevedo, David Lima--
5-Aug-2021-Structural, theoretical and biological activity of mono and binuclear nickel(II) complexes with symmetrical and asymmetrical 4,6-diacetylresorcinol-dithiocarbazate ligandsLima, Francielle Campos; Só, Yuri Alves de Oliveira; Gargano, Ricardo; Oliveira, Diêgo M. de; Gatto, Claudia Cristina--
2020-Synthesis, theoretical calculation and anticancer activity of 4,6-diacetylresorcinol-dithiocarbazates and their Copper(II) complexesLima, Francielle Campos; Só, Yuri Alves de Oliveira; Gargano, Ricardo; Fujimori, Mahmi; França, Eduardo L.; França, Adenilda C. Honorio; Gatto, Claudia Cristina--
18-Jan-2019-Theoretical investigation on H2O2-Ng (He, Ne, Ar, Kr, Xe, and Rn) complexes suitable for stereodynamics : interactions and thermal chiral rate consequencesSó, Yuri Alves de Oliveira; Oliveira Neto, Pedro Henrique de; Macedo, Luiz Guilherme Machado de; Gargano, Ricardo--
30-Apr-2019-A theoretical study of adsorbed non-metallic atoms on magnesium chloride monolayersLima, Igo Tôrres; Gargano, Ricardo; Guerini, Silvete; Paura, Edson Nunes Costa--