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Mauricio D. Coutinho-Neto
Mauricio D. Coutinho-Neto
Outros nomesMauricio Coutinho Neto, Maurício D Coutinho-Neto, Maurício Domingues Coutinho-Neto
E-mail confirmado em ufabc.edu.br
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Importance of van der Waals interactions in liquid water
IC Lin, AP Seitsonen, MD Coutinho-Neto, I Tavernelli, U Rothlisberger
The Journal of Physical Chemistry B 113 (4), 1127-1131, 2009
2302009
Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr
IC Lin, MD Coutinho-Neto, C Felsenheimer, OA von Lilienfeld, I Tavernelli, ...
Physical Review B 75 (20), 205131, 2007
2022007
The ground state tunneling splitting of malonaldehyde: Accurate full dimensional quantum dynamics calculations
MD Coutinho-Neto, A Viel, U Manthe
The Journal of chemical physics 121 (19), 9207-9210, 2004
1292004
Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde
T Hammer, MD Coutinho-Neto, A Viel, U Manthe
The Journal of chemical physics 131 (22), 2009
782009
Weakly bonded complexes of aliphatic and aromatic carbon compounds described with dispersion corrected density functional theory
E Tapavicza, IC Lin, OA von Lilienfeld, I Tavernelli, MD Coutinho-Neto, ...
Journal of chemical theory and computation 3 (5), 1673-1679, 2007
772007
Predicting noncovalent interactions between aromatic biomolecules with London-dispersion-corrected DFT
IC Lin, OA von Lilienfeld, MD Coutinho-Neto, I Tavernelli, U Rothlisberger
The Journal of Physical Chemistry B 111 (51), 14346-14354, 2007
762007
The ground state tunneling splitting and the zero point energy of malonaldehyde: A quantum Monte Carlo determination
A Viel, MD Coutinho-Neto, U Manthe
The Journal of chemical physics 126 (2), 2007
752007
Capacitive DNA detection driven by electronic charge fluctuations in a graphene nanopore
GT Feliciano, C Sanz-Navarro, MD Coutinho-Neto, P Ordejón, ...
Physical Review Applied 3 (3), 034003, 2015
712015
Urea enhances the photodynamic efficiency of methylene blue
SC Nuñez, TM Yoshimura, MS Ribeiro, HC Junqueira, C Maciel, ...
Journal of Photochemistry and Photobiology B: Biology 150, 31-37, 2015
682015
Chiral organocatalysts based on lipopeptide micelles for aldol reactions in water
BM Soares, AM Aguilar, ER Silva, MD Coutinho-Neto, IW Hamley, M Reza, ...
Physical Chemistry Chemical Physics 19 (2), 1181-1189, 2017
392017
Self-assembly of arg–phe nanostructures via the solid–vapor phase method
MS Liberato, S Kogikoski Jr, ER Silva, MD Coutinho-Neto, LPB Scott, ...
The Journal of Physical Chemistry B 117 (3), 733-740, 2013
322013
ENDyne version 2.8 Software for electron nuclear dynamics
E Deumens, T Helgaker, A Diz, H Taylor, J Oreiro, B Mogensen, ...
Quantum Theory Project, University of Florida, Gainesville, FL, 32611-8435, 2000
292000
Self-assembly of peptide nanostructures onto an electrode surface for nonenzymatic oxygen sensing
CP Sousa, MD Coutinho-Neto, MS Liberato, LT Kubota, WA Alves
The Journal of Physical Chemistry C 119 (2), 1038-1046, 2015
262015
Aggregation of photosensitizers: the role of dispersion and solvation on dimer formation energetics
F Bettanin, TA de Carvalho Fontinelles, CD Maciel, LG Dias, ...
Theoretical Chemistry Accounts 134, 1-11, 2015
242015
Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach
GT Feliciano, C Sanz-Navarro, MD Coutinho-Neto, P Ordejon, ...
The Journal of Physical Chemistry B 122 (2), 485-492, 2018
212018
Abstraction and exchange mechanisms for the reaction at hyperthermal collision energies
M Coutinho-Neto, E Deumens, Y Öhrn
The Journal of chemical physics 116 (7), 2794-2802, 2002
202002
Electron nuclear dynamics of LiH and HF in an intense laser field
J Broeckhove, MD Coutinho-Neto, E Deumens, Y Öhrn
Physical Review A 56 (6), 4996, 1997
201997
First principles theoretical spectroscopy of methylene blue: Between limitations of time-dependent density functional theory approximations and its realistic description in the …
TB De Queiroz, ER De Figueroa, MD Coutinho-Neto, CD Maciel, ...
The Journal of chemical physics 154 (4), 2021
192021
Density functional theory applied to excited state intramolecular proton transfer in imidazole-, oxazole-, and thiazole-based systems
F De Carvalho, MD Coutinho Neto, FH Bartoloni, P Homem-de-Mello
Molecules 23 (5), 1231, 2018
192018
CAHM1: a theory-based proposal for a new DSSC D–A− π–A dye
CM Aono, MD Coutinho-Neto, R Miotto, P Homem-de-Mello
The Journal of Physical Chemistry C 122 (48), 27256-27262, 2018
182018
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