José Roberto S Politi
José Roberto S Politi
Professor de Química, Universidade de Brasília
Verified email at unb.br
Title
Cited by
Cited by
Year
Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces
JR dos Santos Politi, F Vines, JA Rodriguez, F Illas
Physical Chemistry Chemical Physics 15 (30), 12617-12625, 2013
1652013
Comparative study of the oxidative and thermal stability of vegetable oils to be used as lubricant bases
JR dos Santos Politi, PRR de Matos, MJA Sales
Journal of thermal analysis and calorimetry 111 (2), 1437-1442, 2013
332013
Theoretical Study of CH4−CH4, CHF3−CH4, CH4−H2O, and CHF3−H2O Dimers
JBL Martins, JRS Politi, E Garcia, AFA Vilela, R Gargano
The Journal of Physical Chemistry A 113 (52), 14818-14823, 2009
322009
Theoretical studies on the stability of N-methylformamide in both liquid and gas phases
JMM Cordeiro, MAM Cordeiro, ARSA Bôsso, JRS Politi
Chemical physics letters 423 (1-3), 67-70, 2006
222006
Methane capture at room temperature: adsorption on cubic δ-MoC and orthorhombic β-Mo 2 C molybdenum carbide (001) surfaces
S Posada-Pérez, JR dos Santos Politi, F Vines, F Illas
RSC advances 5 (43), 33737-33746, 2015
172015
Quatro alternativas para resolver a equação de Schrödinger para o átomo de hidrogênio
R Custodio, JRS Politi, M Segala, RLA Haiduke, M Cyrillo
Química Nova 25, 159-170, 2002
172002
Complexes of water with the fluoromethanes
JBL Martins, JRS Politi, AD Braga, R Gargano
Chemical physics letters 431 (1-3), 51-55, 2006
132006
ONIOM study of dissociated hydrogen and water on ZnO surface
JBL Martins, CA Taft, E Longo, EAS de Castro, WF da Cunha, JRS Politi, ...
International Journal of Quantum Chemistry 112 (19), 3223-3227, 2012
92012
Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD (T)
JBL Martins, RP Quintino, JRS Politi, D Sethio, R Gargano, E Kraka
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 239, 118540, 2020
82020
Methanol, ethanol, propanol, and butanol adsorption on H-ZSM-5 zeolite: an ONIOM study
RJ Costa, EAS Castro, JRS Politi, R Gargano, JBL Martins
Journal of molecular modeling 25 (2), 34, 2019
62019
Lateral interaction and spectroscopic constants of CO adsorbed on ZnO
ÍP de Lima, JRS Politi, R Gargano, JBL Martins
Theoretical Chemistry Accounts 134 (4), 1-8, 2015
62015
Theoretical study of tetrahydrofuran: comparative investigation of spectroscopic and structural properties between gas and liquid phases
LT da Silva, JR dos Santos Politi, R Gargano
International Journal of Quantum Chemistry 12 (111), 2914-2921, 2011
62011
Rovibrational energy and spectroscopic constant calculations of CH 4⋯ CH 4, CH 4⋯ H 2 O, CH 4⋯ CHF 3, and H 2 O⋯ CHF 3 dimers
WF Cunha, R Gargano, E Garcia, JRS Politi, AF Albernaz, JBL Martins
Journal of Molecular Modeling 20 (7), 1-7, 2014
42014
Thermostability and physicochemical properties of two macauba oils and their derivatives related to their use as a lubricant base
PRR de Matos, CKZ de Andrade, JDO Rodrigues, MJA Sales, ...
Journal of Thermal Analysis and Calorimetry 132 (1), 293-303, 2018
22018
Quantum Monte Carlo with density matrix: potential energy curve derived properties
VS Bonfim, NM Borges, JBL Martins, R Gargano, JRS Politi
Journal of molecular modeling 23 (4), 104, 2017
22017
Otimização de parâmetros de corte em cálculos periódicos DFT de ondas planas para superfícies (110) rutilo e (101) anatase do TiO2
MR Vargas, EAS Castro, JRS Politi, JBL Martins
Sociedade Brasileira de Química, 2016
22016
Rovibrational energy and spectroscopic constant calculations of CH 4⋯ CH4, CH 4⋯ H2 O, CH 4⋯ CHF3, and H 2O⋯ CHF3 dimers
WF Cunha, R Gargano, E Garcia, JRS Politi, AF Albernaz, JBL Martins
Journal of molecular modeling 20 (7), 1-7, 2014
22014
Rovibrational energy and spectroscopic constant calculations of CH⋯ CH, CH⋯ HO, CH⋯ CHF, and HO⋯ CHF dimers.
W Cunha, R Gargano, E Garcia, J Politi, A Albernaz, J Martins
Journal of molecular modeling 20 (7), 2014
12014
A first principles approach to the interactions of alkali metal atoms with carbon quantum dots
JRS Politi, JBL Martins, BJC Cabral
Computational Materials Science 197, 110614, 2021
2021
Accurate spectroscopic properties by diffusion quantum Monte Carlo calculations
CMC Carvalho, R Gargano, JBL Martins, JRS Politi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 243, 118707, 2020
2020
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Articles 1–20