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Navegando por Autor Ramalho, Teodorico C.

Mostrando resultados 1 a 20 de 210 Próximo »*

1hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling?
Cormanich, Rodrigo A.; Moreira, Marilua A.; Freitas, Matheus P.; Ramalho, Teodorico C.; Anconi, Cléber P. A.; Rittner, Roberto; Contreras, Rubén H.; Tormena, Cláudio F.
24-Mai-2020
★★★★★ (0)
3D perspective into MIA‐QSAR: a case for anti‐HCV agents
Daré, Joyce K.; Ramalho, Teodorico C.; Freitas, Matheus P.
8-Abr-2020
★★★★★ (0)
4D-QSAR Model for Compounds with Binding Affinity Towards Dopamine D2 Receptors
Silva, Daniela Rodrigues; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
26-Jan-2018
★★★★★ (0)
99Tc NMR as a promising technique for structural investigation of biomolecules: theoretical studies on the solvent and thermal effects of phenylbenzothiazole complex
Mancini, Daiana T.; Souza, Eugenio F.; Caetano, Melissa S.; Ramalho, Teodorico C.
24-Mai-2020
★★★★★ (0)
A combined experimental and theoretical study on the formation of Crystalline Vanadium Nitride (VN) in low temperature through a fully solid-state synthesis route
Souza, Eugenio F. de; Chagas, Carlos A.; Ramalho, Teodorico C.; Silva, Victor Teixeira da; Aguiar, Daniel L. M.; Gil, Rosane San; Alencastro, Ricardo B. de
24-Mai-2020
★★★★★ (0)
A molecular dynamics of cold neutral atoms captured by carbon nanotube under electric field and thermal effect as a selective atoms sensor
Santos, Elson C.; Neto, Abel F. G.; Maneschy, Carlos E.; Chen, James; Ramalho, Teodorico C.; C. Neto, A. M. J.
24-Mai-2020
★★★★★ (0)
A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesterase
Kuca, Kamil; Musilek, Kamil; Jun, Daniel; Zdarova-Karasova, Jana; Nepovimova, Eugenie; Soukup, Ondrej; Hrabinova, Martina; Mikler, John; Franca, Tanos C. C.; Cunha, Elaine F. F. da; Castro, Alexandre A. de; Valis, Martin; Ramalho, Teodorico C.
29-Mar-2019
★★★★★ (0)
A quantitative MO perspective of the chalcogen bond
Santos, Lucas de Azevedo; Van der Lubbe, Stephanie C. C.; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, Matthias
12-Jan-2022
★★★★★ (0)
A quantitative molecular orbital perspective of the chalcogen bond
Santos, Lucas de Azevedo; Van der Lubbe, Stephanie C. C.; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
12-Jan-2022
★★★★★ (0)
A theoretical protocol for the rational design of the bioinspired multifunctional hybrid material MIP@cercosporin
Sales, Thaís A.; Ferreira, Leonardo V. F.; Nogueira, Artur G.; Ramalho, Teodorico C.
24-Out-2024
★★★★★ (0)
A versatile low temperature solid-state synthesis of vanadium nitride (VN) via a “guanidinium-route”: experimental and theoretical studies from the key-intermediate to the final product
Souza, Eugenio Furtado de; Chagas, Carlos Alberto; Ramalho, Teodorico C.; Alencastro, Ricardo Bicca de
24-Mai-2020
★★★★★ (0)
Adsorption and desulfurization reaction mechanism of thiophene and its hydrogenated derivatives over NbC(001) and NbN(001): an ab initio DFT study
Souza, Eugenio Furtado de; Ramalho, Teodorico C.; Chagas, Carlos Alberto; Alencastro, Ricardo Bicca de
24-Mai-2020
★★★★★ (0)
Adsorption of aromatic compounds under magnetic field influence
Brito, Juliana Ferreira de; Ferreira, Laís de Oliveira; Pereira, Maísa Carla Ragozoni; Silva, Joaquim Paulo da; Ramalho, Teodorico C.
11-Dez-2019
★★★★★ (0)
Alkyl group effect on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes analyzed by NMR spectroscopy and theoretical calculations
Silla, Josué M.; Cormanich, Rodrigo A.; Duarte, Claudimar J.; Freitas, Matheus P.; Ramalho, Teodorico C.; Barbosa, Thaís M.; Santos, Francisco P.; Tormena, Cláudio F.; Rittner, Roberto
12-Jul-2020
★★★★★ (0)
Alkyl group effect on the conformational isomerism of trans-2-bromoalkoxycyclohexanes analyzed by NMR spectroscopy and theoretical calculations
Silla, Josué M.; Cormanich, Rodrigo A.; Duarte, Claudimar J.; Freitas, Matheus P.; Ramalho, Teodorico C.; Barbosa, Thaís M.; Santos, Francisco P.; Tormena, Cláudio F.; Rittner, Roberto
24-Mai-2020
★★★★★ (0)
Analysis of Bacillus anthracis nucleoside hydrolase via in silico docking with inhibitors and molecular dynamics simulation
Guimarães, Ana P.; Oliveira, Aline A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; França, Tanos C. C.
26-Jan-2018
★★★★★ (0)
Analysis of Wild-type and Gly96Ala mutant EPSP synthase structures via in silico docking with inhibitors and molecular dynamics simulation
Caetano, Melissa S.; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; Josa, Daniela; Souza, Thais C. S.
11-Out-2017
★★★★★ (0)
Anti-virulence strategy against the multidrug-resistant bacterial pathogen Pseudomonas aeruginosa: Pseudolysin (Elastase B) as a potential druggable target
Galdino, Anna Clara M.; Oliveira, Matheus P. de; Ramalho, Teodorico C.; Castro, Alexandre A. de; Branquinha, Marta H.; Santos, André L.S.
8-Abr-2020
★★★★★ (0)
Antiureolytic Activity of Substituted 2,5-Diaminobenzoquinones
Nain‐Perez, Amalyn; Barbosa, Luiz C. A.; Rodríguez‐Hernández, Diego; Mota, Yane C. C.; Silva, Thamara F.; Ramalho, Teodorico C.; Modolo, Luzia V.
8-Abr-2020
★★★★★ (0)
Application of 4D-QSAR studies to a series of benzothiophene analogs
Caldas, Giovana Baptista; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
26-Jan-2018
★★★★★ (0)

Mostrando resultados 1 a 20 de 210 Próximo »*

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Navegando por Autor Ramalho, Teodorico C.