Maximiliano Segala

Cited by

	All	Since 2019
Citations	505	205
h-index	12	7
i10-index	13	6

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Co-authors

Valter StefaniProfessor Titular, Departamento de Química Orgânica, Universidade Federal do Rio Grande do SulVerified email at iq.ufrgs.br
Giovanni F. CaramoriUniversidade Federal de Santa CatarinaVerified email at ufsc.br
Ricardo Rego Bordalo CorreiaUniversidade Federal do Rio Grande do SulVerified email at if.ufrgs.br
Fabiano BernardiProfessor of Physics, UFRGSVerified email at if.ufrgs.br
Wallace T. FigueiredoPhD, Universidade Federal do Rio Grande do SulVerified email at ufrgs.br
Paolo Roberto LivottoProfessor Associado do Departamento de Físico-Química - Universidade Federal do Rio Grande do SulVerified email at iq.ufrgs.br
Luciana TavaresUniversity of Southern DenmarkVerified email at sdu.dk
Fabiano Severo RodembuschUniversidade Federal do Rio Grande do SulVerified email at ufrgs.br
Flavio HorowitzUFRGSVerified email at ufrgs.br
José Roberto S PolitiProfessor de Química, Universidade de BrasíliaVerified email at unb.br
Rogerio CustodioProfessor of Physical Chemistry, State University of CampinasVerified email at unicamp.br
Roberto Luiz Andrade HaidukeDQFM - Instituto de Química de São Carlos - Universidade de São Paulo - São Carlos, SP, BrazilVerified email at iqsc.usp.br
Felipe S. S. SchneiderCellertz BioVerified email at posgrad.ufsc.br
Renato Luis Tame ParreiraNúcleo de Pesquisa em Ciências Exatas e Tecnológicas - Universidade de FrancaVerified email at unifran.edu.br
Alvaro Muñoz-CastroUniversidad San SebastiánVerified email at uss.cl
Cláudio RadtkeProfessor do Departamento de Físico-Química, UFRGSVerified email at ufrgs.br
Piet W. N. M. van Leeuwenformer INSA-Toulouse, former Group Leader ICIQ or Professor of Homogeneous catalysis, University ofVerified email at insa-toulouse.fr
Henri Stephan SchrekkerProfessor of Chemistry, Universidade Federal do Rio Grande do SulVerified email at ufrgs.br
Evert Jan BaerendsProfessor of Theoretical Chemistry, Vrije Universiteit, AmsterdamVerified email at vu.nl
Daniel WeibelProfessor Associado IV, Universidade Federal de Rio Grande do SulVerified email at iq.ufrgs.br

Maximiliano Segala

Instituto de Química - Universidade Federal do Rio Grande do Sul

Verified email at ufrgs.br - Homepage

Química teórica e computacional


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Understanding the Strong Metal–Support Interaction (SMSI) Effect in Cu_xNi_1–x/CeO₂ (0 < x < 1) Nanoparticles for Enhanced Catalysis WT Figueiredo, GB Della Mea, M Segala, DL Baptista, C Escudero, ... ACS Applied Nano Materials 2 (4), 2559-2573, 2019	60	2019
First hyperpolarizability in a new benzimidazole derivative FS Rodembusch, T Buckup, M Segala, L Tavares, RRB Correia, V Stefani Chemical physics 305 (1-3), 115-121, 2004	55	2004
First hyperpolarizability in proton-transfer benzoxazoles: computer-aided design, synthesis and study of a new model compound S Hillebrand, M Segala, T Buckup, RRB Correia, F Horowitz, V Stefani Chemical Physics 273 (1), 1-10, 2001	54	2001
Geometry, solvent, and polar effects on the relationship between calculated core-electron binding energy shifts (ΔCEBE) and Hammett substituent (σ) constants M Segala, Y Takahata, DP Chong Journal of Molecular Structure: THEOCHEM 758 (1), 61-69, 2006	39	2006
Cyclic trinuclear copper (I), silver (I), and gold (I) complexes: a theoretical insight GF Caramori, RM Piccoli, M Segala, A Muñoz-Castro, ... Dalton Transactions 44 (1), 377-385, 2015	37	2015
Density functional theory calculation of 2p core-electron binding energies of Si, P, S, Cl, and Ar in gas-phase molecules M Segala, Y Takahata, DP Chong Journal of electron spectroscopy and related phenomena 151 (1), 9-13, 2006	34	2006
K-shell core-electron binding energies for phosphorus-and sulfur-containing molecules calculated by density functional theory M Segala, DP Chong Journal of Electron Spectroscopy and Related Phenomena 182 (3), 141-144, 2010	29	2010
Heterocyclic dyes displaying excited-state intramolecular proton-transfer reactions (ESIPT): computational study of the substitution effect on the electronic absorption spectra … M Segala, NS Domingues Jr, PR Livotto, V Stefani Journal of the Chemical Society, Perkin Transactions 2, 1123-1128, 1999	27	1999
New insights on the electronic factor of the SMSI effect in Pd/TiO2 nanoparticles WT Figueiredo, R Prakash, CG Vieira, DS Lima, VE Carvalho, EA Soares, ... Applied Surface Science 574, 151647, 2022	26	2022
An evaluation of exchange-correlation functionals for the calculations of the ionization energies for atoms and molecules M Segala, DP Chong Journal of Electron Spectroscopy and Related Phenomena 171 (1-3), 18-23, 2009	25	2009
Quatro alternativas para resolver a equação de Schrödinger para o átomo de hidrogênio R Custodio, JRS Politi, M Segala, RLA Haiduke, M Cyrillo Química Nova 25, 159-170, 2002	23*	2002
Computational study of the geometry and electronic structure of triazolephthalocyanines RS Iglesias, M Segala, M Nicolau, B Cabezón, V Stefani, T Torres, ... Journal of Materials Chemistry 12 (5), 1256-1261, 2002	21	2002
How do secondary phosphine oxides interact with silver nanoclusters? insights from computation FSS Schneider, M Segala, GF Caramori, EH da Silva, RLT Parreira, ... The Journal of Physical Chemistry C 122 (37), 21449-21461, 2018	10	2018
Evaluation of Electron Donation as a Mechanism for the Stabilisation of Chalcogenate‐Protected Gold Nanoclusters M Segala, FSS Schneider, GF Caramori, RLT Parreira ChemPhysChem 17 (19), 3102-3111, 2016	9	2016
Is HAM/3 (hydrogenic atoms in molecules, version 3) a semiempirical version of dft (density functional theory) for ionization processes? Y Takahata, DP Chong, M Segala Journal of the Brazilian Chemical Society 15, 282-291, 2004	9	2004
Equilibrium conformations and surface charge regulation of spherical polymer brushes in stretched regimes A Bakhshandeh, M Segala, T Escobar Colla Macromolecules 55 (1), 35-48, 2021	8	2021
Core Electron Binding Energy (CEBE) as Descriptors in Quantitative Structure–Activity Relationship (QSAR) Analysis of Cytotoxicities of a Series of Simple Phenols Y Takahata, M Arakawa, K Funatsu, MCA Costa, M Segala QSAR & Combinatorial Science 26 (3), 378-384, 2007	8	2007
Adsorption of polyelectrolytes on charged microscopically patterned surfaces A Bakhshandeh, M Segala Journal of Molecular Liquids 294, 111673, 2019	6	2019
Density functional theory calculation of 2p spectra of SiH₄, PH₃, H₂S, HCl, and Ar DP Chong, M Segala, Y Takahata, EJ Baerends International Journal of Quantum Chemistry 108 (8), 1358-1368, 2008	6	2008
Electrolytes in regimes of strong confinement: surface charge modulations, osmotic equilibrium and electroneutrality A Bakhshandeh, M Segala, T Colla Soft Matter 16 (46), 10488-10505, 2020	5	2020

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