Canuto S - Search Results

1

Role of the Solvent and Intramolecular Hydrogen Bonds in the Antioxidative Mechanism of Prenylisoflavone from Leaves of Vatairea guianensis.

Fonseca S, Dos Santos NSS, Torres A, Siqueira M, da Cunha A, Manzoni V, Provasi PF, Gester R, Canuto S. Fonseca S, et al. Among authors: canuto s. J Phys Chem A. 2023 Dec 28;127(51):10807-10816. doi: 10.1021/acs.jpca.3c05725. Epub 2023 Dec 18. J Phys Chem A. 2023. PMID: 38108191

2

Structural properties and energetics of diffuse 87Rb clusters in three-dimension.

Debnath PK, Chakrabarti B, Das TK, Canuto S. Debnath PK, et al. Among authors: canuto s. J Chem Phys. 2012 Jul 7;137(1):014301. doi: 10.1063/1.4730972. J Chem Phys. 2012. PMID: 22779642

3

Dipole moment, polarizability, and their derivatives for the SiC molecule.

Castro MA, Canuto S. Castro MA, et al. Among authors: canuto s. Phys Rev A. 1993 Jul;48(1):826-828. doi: 10.1103/physreva.48.826. Phys Rev A. 1993. PMID: 9909662 No abstract available.

4

Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: a sequential molecular dynamics/quantum mechanical approach.

Mata RA, Cabral BJ, Millot C, Coutinho K, Canuto S. Mata RA, et al. Among authors: canuto s. J Chem Phys. 2009 Jan 7;130(1):014505. doi: 10.1063/1.3054184. J Chem Phys. 2009. PMID: 19140620

5

Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems.

Nikolaev DM, Manathunga M, Orozco-Gonzalez Y, Shtyrov AA, Guerrero Martínez YO, Gozem S, Ryazantsev MN, Coutinho K, Canuto S, Olivucci M. Nikolaev DM, et al. Among authors: canuto s. J Chem Theory Comput. 2021 Sep 14;17(9):5885-5895. doi: 10.1021/acs.jctc.1c00221. Epub 2021 Aug 11. J Chem Theory Comput. 2021. PMID: 34379429

6

Many-body-perturbation-theory calculations of the microwave and vibrational constants of CaC.

Castro MA, Canuto S, Müller-Plathe F. Castro MA, et al. Among authors: canuto s. Phys Rev A. 1992 Oct 1;46(7):4415-4417. doi: 10.1103/physreva.46.4415. Phys Rev A. 1992. PMID: 9908643 No abstract available.

7

Theoretical determination of the spectroscopic constants of CaH+.

Canuto S, Castro MA, Sinha K. Canuto S, et al. Phys Rev A. 1993 Sep;48(3):2461-2463. doi: 10.1103/physreva.48.2461. Phys Rev A. 1993. PMID: 9909876 No abstract available.

8

Isotropic and anisotropic static dipole polarizabilities of the first-row stable atomic anions.

Canuto S, Castro MA, Mukherjee PK. Canuto S, et al. Phys Rev A. 1994 May;49(5):3515-3518. doi: 10.1103/physreva.49.3515. Phys Rev A. 1994. PMID: 9910649 No abstract available.

9

Dynamic polarizabilities and Rydberg states of the argon isoelectronic sequence.

Ghosh TK, Das AK, Castro M, Canuto S, Mukherjee PK. Ghosh TK, et al. Among authors: canuto s. Phys Rev A. 1993 Oct;48(4):2686-2695. doi: 10.1103/physreva.48.2686. Phys Rev A. 1993. PMID: 9909916 No abstract available.

10

Ab initio study of the isomeric equilibrium of the HCN...H2O and H2O...HCN hydrogen-bonded clusters.

Malaspina T, Fileti EE, Riveros JM, Canuto S. Malaspina T, et al. Among authors: canuto s. J Phys Chem A. 2006 Aug 31;110(34):10303-8. doi: 10.1021/jp062780p. J Phys Chem A. 2006. PMID: 16928122

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