متابعة
Mauricio D. Coutinho-Neto
Mauricio D. Coutinho-Neto
أسماء أخرىMauricio Coutinho Neto, Maurício D Coutinho-Neto, Maurício Domingues Coutinho-Neto
Universidade Federal do ABC
بريد إلكتروني تم التحقق منه على ufabc.edu.br
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
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
2292009
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
682015
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
672015
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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مقالات 1–20