Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 10

1.

Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems.

de Carvalho F, Coutinho Neto MD, Bartoloni FH, Homem-de-Mello P.

Molecules. 2018 May 21;23(5). pii: E1231. doi: 10.3390/molecules23051231.

2.

Morphological dependence of silver electrodeposits investigated by changing the ionic liquid solvent and the deposition parameters.

Figueredo-Sobrinho FA, Santos LP, Leite DS, Craveiro DC, Santos SH, Eguiluz KI, Salazar-Banda GR, Maciel CD, Coutinho-Neto MD, Homem-de-Mello P, de Lima-Neto P, Correia AN.

Phys Chem Chem Phys. 2016 Mar 14;18(10):7242-50. doi: 10.1039/c5cp06665d.

PMID:
26891224
3.

Urea enhances the photodynamic efficiency of methylene blue.

Nuñez SC, Yoshimura TM, Ribeiro MS, Junqueira HC, Maciel C, Coutinho-Neto MD, Baptista MS.

J Photochem Photobiol B. 2015 Sep;150:31-7. doi: 10.1016/j.jphotobiol.2015.03.018. Epub 2015 Mar 30.

PMID:
25862463
4.

Self-assembly of Arg-Phe nanostructures via the solid-vapor phase method.

Liberato MS, Kogikoski S Jr, Silva ER, Coutinho-Neto MD, Scott LP, Silva RH, Oliveira VX Jr, Ando RA, Alves WA.

J Phys Chem B. 2013 Jan 24;117(3):733-40. doi: 10.1021/jp307716y. Epub 2013 Jan 14.

PMID:
23286315
5.

Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde.

Hammer T, Coutinho-Neto MD, Viel A, Manthe U.

J Chem Phys. 2009 Dec 14;131(22):224109. doi: 10.1063/1.3272610.

PMID:
20001026
6.

Importance of van der Waals interactions in liquid water.

Lin IC, Seitsonen AP, Coutinho-Neto MD, Tavernelli I, Rothlisberger U.

J Phys Chem B. 2009 Jan 29;113(4):1127-31. doi: 10.1021/jp806376e.

PMID:
19123911
7.

Predicting noncovalent interactions between aromatic biomolecules with London-dispersion-corrected DFT.

Lin IC, Lilienfeld OA, Coutinho-Neto MD, Tavernelli I, Rothlisberger U.

J Phys Chem B. 2007 Dec 27;111(51):14346-54. Epub 2007 Dec 5.

PMID:
18052270
8.

Weakly Bonded Complexes of Aliphatic and Aromatic Carbon Compounds Described with Dispersion Corrected Density Functional Theory.

Tapavicza E, Lin IC, von Lilienfeld OA, Tavernelli I, Coutinho-Neto MD, Rothlisberger U.

J Chem Theory Comput. 2007 Sep;3(5):1673-9. doi: 10.1021/ct700049s.

PMID:
26627613
9.

The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination.

Viel A, Coutinho-Neto MD, Manthe U.

J Chem Phys. 2007 Jan 14;126(2):024308.

PMID:
17228955
10.

The ground state tunneling splitting of malonaldehyde: accurate full dimensional quantum dynamics calculations.

Coutinho-Neto MD, Viel A, Manthe U.

J Chem Phys. 2004 Nov 15;121(19):9207-10.

PMID:
15538840

Supplemental Content

Loading ...
Support Center