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Browsing by Author Martins, João Batista Lopes

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Showing results 1 to 7 of 7
Issue DateData de defesaTitleAuthor(s)Orientador(es)Coorientador(es):
2020-Accurate spectroscopic properties by diffusion quantum Monte Carlo calculationsCarvalho, Cassius Marcellus Costa; Gargano, Ricardo; Martins, João Batista Lopes; Politi, José Roberto dos Santos--
Mar-2016-Chemical reactivity indices of the caffeine moleculeAlmeida, Antonio L. de; Barbosa, Luane P. G.; Santos, Rebeca L.; Martins, João Batista Lopes--
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--
15-Mar-2016-Estudo teórico dos parâmetros de modelagem da superfície apolar do óxido de zincoLima, Ítalo Pimentel de; Martins, João Batista Lopes--
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--
9-Apr-2016-Otimização de parâmetros de corte em cálculos periódicos DFT de ondas planas para superfícies (110) rutilo e (101) anatase do TiO2Vargas, Marcos R.; Castro, Elton Anderson Santos de; Politi, José Roberto S.; Martins, João Batista Lopes--