Mauricio D. Coutinho-Neto

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Soavtorji

Paula Homem-de-MelloCentro de Ciências Naturais e Humanas (CCNH), Universidade Federal do ABC (UFABC)Preverjeni e-poštni naslov na ufabc.edu.br
Ivano TavernelliIBM Quantum, IBM Research - ZurichPreverjeni e-poštni naslov na zurich.ibm.com
Ursula RothlisbergerProfessor of Computational Chemistry and BiochemistryPreverjeni e-poštni naslov na epfl.ch
I-Chun LinUCLPreverjeni e-poštni naslov na ucl.ac.uk
Wendel Andrade AlvesFederal University of ABCPreverjeni e-poštni naslov na ufabc.edu.br
Uwe MantheTheoretische Chemie, Fakultät für Chemie, Universität BielefeldPreverjeni e-poštni naslov na uni-bielefeld.de
O. Anatole von LilienfeldClark & CIFAR AI chair at University of Toronto/Vector Institute/Technical University BerlinPreverjeni e-poštni naslov na utoronto.ca
Cleiton Domingos MacielProfessor at IFSPPreverjeni e-poštni naslov na ifsp.edu.br
Ralph H. ScheicherDivision of Materials Theory, Dept of Physics & Astronomy, Uppsala University, SwedenPreverjeni e-poštni naslov na physics.uu.se
Gustavo Troiano FelicianoMax-Planck-Institut für Kohlenforschung - Department of Molecular Theory and SpectroscopyPreverjeni e-poštni naslov na kofo.mpg.de
P. OrdejonICN2 - Institut Català de Nanociència i NanotecnologiaPreverjeni e-poštni naslov na icn2.cat
Alexandre Reily RochaProfessor, Instituto de Física Teórica, UNESPPreverjeni e-poštni naslov na unesp.br
Emerson Rodrigo da SilvaFederal University of Sao Paulo, Biophysics DepartmentPreverjeni e-poštni naslov na unifesp.br
Ian HamleyUniversity of ReadingPreverjeni e-poštni naslov na reading.ac.uk
Enrico TapaviczaProfessor of Chemistry, Universität Regensburg, California State University, Long BeachPreverjeni e-poštni naslov na csulb.edu
Renato Dias da CunhaUniversity of BarcelonaPreverjeni e-poštni naslov na ub.edu
Remigio Cabrera-TrujilloInstituto de Ciencias Fisicas, Universidad Nacional Autonoma de MexicoPreverjeni e-poštni naslov na icf.unam.mx
Fernando Heering BartoloniCentro de Ciências Naturais e Humanas, Universidade Federal do ABCPreverjeni e-poštni naslov na ufabc.edu.br
Vani X. Oliveira Jr.Assistant Professor of Chemistry, Federal University of ABC - UFABCPreverjeni e-poštni naslov na ufabc.edu.br
Mauricio S. BaptistaProfessor de Bioquímica, Universidade de São PauloPreverjeni e-poštni naslov na iq.usp.br

Spremljaj

Mauricio D. Coutinho-Neto

Druga imenaMauricio Domingues CoutinhoNeto, Mauricio Coutinho.Neto, Maurício Domingues Coutinho-Neto

Universidade Federal do ABC

Preverjeni e-poštni naslov na ufabc.edu.br

Density Functional Theory Bioinspired materials Redox Reactions QMMM


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
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	231	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—Condensed Matter and Materials Physics 75 (20), 205131, 2007	212	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	137	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	87	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	81	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	78	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	75	2015
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
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	70	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	43	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
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	29	2015
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
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	26	2018
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	24	2015
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	23	2021
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	22	2018
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	20	2002
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
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	19	2018

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