| 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 | 226 | 2009 |
| 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 | 198 | 2007 |
| 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 | 126 | 2004 |
| 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 | 76 | 2009 |
| 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 | 76 | 2007 |
| 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 | 75 | 2007 |
| 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 | 73 | 2007 |
| 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 | 67 | 2015 |
| 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 | 61 | 2015 |
| 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 | 38 | 2017 |
| 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 | 32 | 2013 |
| 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 | 29 | 2000 |
| 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 | 26 | 2015 |
| 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 | 23 | 2015 |
| 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 | 21 | 2002 |
| 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 | 20 | 2018 |
| 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 | 20 | 1997 |
| 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 | 18 | 2018 |
| 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 | 18 | 2018 |
| 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 | 16 | 2021 |
Paula Homem-de-MelloCentro de Ciências Naturais e Humanas (CCNH), Universidade Federal do ABC (UFABC)Verified email at ufabc.edu.br
