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ResearcherID: E-1067-2011
Scopus Author ID: 6507448063

Keywords

DFT, VASP, Molecular Dynamics

Countries

Spain

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Employment (2)

Universidad de Sevilla: Sevilla, Andalucía, ES

1998-06-26 to 2002-02-01 | Becario de Investigación (Química Física)
Employment
Source: Self-asserted source
Norge Cruz Hernandez

Instituto Superior de Tecnologías y Ciencias Aplicadas: La Habana, La Habana, CU

1996-09-01 to 1998-06-25 | Reserva Científica (Ciencias Básicas)
Employment
Source: Self-asserted source
Norge Cruz Hernandez

Education and qualifications (2)

Universidad de Sevilla: Sevilla, Andalucía, ES

1998-06-26 to 2002-02-01 | PhD Thesis on Physical Chemistry (Química Física)
Education
Source: Self-asserted source
Norge Cruz Hernandez

Instituto Superior de Tecnologías y Ciencias Aplicadas: La Habana, La Habana, CU

1996-09-01 to 1998-06-25 | Master of Science on Nuclear Physics
Education
Source: Self-asserted source
Norge Cruz Hernandez

Works (50 of 58)

Items per page:
Page 1 of 2

RELATIONSHIP BETWEEN QUALITY ASSURANCE PERFORMANCE INDICATORS AND CURRICULUM DESIGN

2025-03 | Conference paper
DOI: 10.21125/inted.2025.0626
Contributors: Luisberis Velázquez; Boris Atenas; Norge Cruz Hernández; Juan Carlos Castro Palacio; Juan Antonio Monsoriu
Source: check_circle
Crossref

Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices – a DFT analysis

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D3CP04928K
Contributors: Asnafarsin K. A.; Anithaa V. S.; Abhayram Balakrishnan; Rahul Suresh; Norge Cruz Hernandez; Vijayakumar Subramaniam
Source: check_circle
Crossref

Picosecond Lifetimes of Hydrogen Bonds in the Halide Perovskite CH3NH3PbBr3

The Journal of Physical Chemistry C
2024-12-12 | Journal article
DOI: 10.1021/acs.jpcc.4c04686
Contributors: Alejandro Garrote-Márquez; Lucas Lodeiro; Norge Cruz Hernández; Xia Liang; Aron Walsh; Eduardo Menéndez-Proupin
Source: check_circle
Crossref

Nucleation of zeolitic imidazolate frameworks: from molecules to nanoparticles

Nanoscale
2023 | Journal article
DOI: 10.1039/D2NR06521E
Contributors: Salvador R. G. Balestra; Bruno Martínez-Haya; Norge Cruz-Hernández; Dewi W. Lewis; Scott M. Woodley; Rocio Semino; Guillaume Maurin; A. Rabdel Ruiz-Salvador; Said Hamad
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Crossref

Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics

The Journal of Physical Chemistry C
2023-08-17 | Journal article
DOI: 10.1021/acs.jpcc.3c02376
Contributors: Alejandro Garrote-Márquez; Lucas Lodeiro; Rahul Suresh; Norge Cruz Hernández; Ricardo Grau-Crespo; Eduardo Menéndez-Proupin
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Least action description of dynamic pairing correlations in the fission of curium and californium isotopes based on the Gogny energy density functional

Physical Review C
2023-04-11 | Journal article
DOI: 10.1103/PhysRevC.107.044307
Contributors: R. Rodríguez-Guzmán; L. M. Robledo; Carlos A. Jiménez-Hoyos; N. C. Hernández
Source: check_circle
Crossref

Simulating key properties of lithium-ion batteries with a fault-tolerant quantum computer

Physical Review A
2022-09-26 | Journal article
DOI: 10.1103/PhysRevA.106.032428
Contributors: Alain Delgado; Pablo A. M. Casares; Roberto dos Reis; Modjtaba Shokrian Zini; Roberto Campos; Norge Cruz-Hernández; Arne-Christian Voigt; Angus Lowe; Soran Jahangiri; M. A. Martin-Delgado et al.
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Crossref

Evolution of octupole deformation and collectivity in neutron-rich lanthanides

Physical Review C
2021-10-21 | Journal article
DOI: 10.1103/PhysRevC.104.044324
Contributors: K. Nomura; R. Rodríguez-Guzmán; L. M. Robledo; J. E. García-Ramos; N. C. Hernández
Source: check_circle
Crossref

A DFT-based simulated annealing method for the optimization of global energy in zeolite framework systems: Application to natrolite, chabazite and clinoptilolite

Microporous and Mesoporous Materials
2020-03 | Journal article
DOI: 10.1016/j.micromeso.2019.109885
Contributors: Mohamed Abatal; A. Rabdel Ruiz-Salvador; Norge Cruz Hernández
Source: check_circle
Crossref

Copper–nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations

Inorganic Chemistry Frontiers
2019 | Journal article
DOI: 10.1039/C9QI00129H
Contributors: Rocío Sánchez-de-Armas; Norge Cruz Hernández; Carmen J. Calzado
Source: check_circle
Crossref

Electronic Structure and Magnetic Interactions in the Radical Salt [BEDT-TTF]2[CuCl4].

Inorganic chemistry
2018 | Journal article
DOI: 10.1021/acs.inorgchem.7b03240
WOSUID:

MEDLINE:29877697
Contributors: Calzado, Carmen J; Rodriguez-Garcia, Barbara; Galan Mascaros, Jose Ramon; Hernandez, Norge Cruz
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Insight of Diversified Reactivity and Theoretical Study of Mixed-Phase Titanium Dioxide for the Photoactivation of Small Molecules

Chemistryselect
2018 | Journal article
DOI: 10.1002/slct.201800076
WOSUID:

WOS:000430102300013
Contributors: Olowoyo, Joshua O.; Cruz Hernandez, Norge; Kumar, Manoj; Jain, Suman L.; Babalola, Jonathan O.; Kumar, Umesh
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Hybrid Perovskite, CH3NH3PbI3, for Solar Applications: An Experimental and Theoretical Analysis of Substitution in A and B Sites

Journal of Nanomaterials
2017 | Journal article
DOI: 10.1155/2017/9768918
WOSUID:

WOS:000394855700001
Contributors: Sanchez-Coronilla, Antonio; Navas, Javier; Jesus Gallardo, Juan; Martin, Elisa I.; De los Santos, Desiree; Hernandez, Norge C.; Alcantara, Rodrigo; Hidalgo Toledo, Jose; Fernandez-Lorenzo, Concha
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions

Journal of Materials Chemistry A
2017 | Journal article
DOI: 10.1039/C7TA01278K
Contributors: Alex Aziz; A. Rabdel Ruiz-Salvador; Norge C. Hernández; Sofia Calero; Said Hamad; Ricardo Grau-Crespo
Source: check_circle
Crossref

The impact of Pd on the light harvesting in hybrid organic-inorganic perovskite for solar cells

Nano Energy
2017 | Journal article
DOI: 10.1016/j.nanoen.2017.02.035
WOSUID:

WOS:000400383300016
Contributors: Navas, Javier; Sanchez-Coronilla, Antonio; Jesus Gallardo, Juan; Carlos Pinero, Jose; De los Santos, Desiree; Martin, Elisa I.; Hernandez, Norge C.; Alcantara, Rodrigo; Fernandez-Lorenzo, Concha; Martin-Calleja, Joaquin
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks.

Angewandte Chemie (International ed. in English)
2016 | Journal article
DOI: 10.1002/anie.201609439
WOSUID:

MEDLINE:27862763
Contributors: Grau-Crespo, Ricardo; Aziz, Alex; Collins, Angus W; Crespo-Otero, Rachel; Hernandez, Norge C; Rodriguez-Albelo, L Marleny; Ruiz-Salvador, A Rabdel; Calero, Sofia; Hamad, Said
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

A Study of Overheating of Thermostatically Controlled TiO2 Thin Films by Using Raman Spectroscopy

Chemphyschem
2015 | Journal article
DOI: 10.1002/cphc.201500933
WOSUID:

WOS:000367325400025
Contributors: Jesus Gallardo, Juan; Navas, Javier; Zorrilla, David; Alcantara, Rodrigo; Valor, Diego; Sanchez-Coronilla, Antonio; Cruz Hernandez, Norge; Fernandez-Lorenzo, Concha; Martin-Calleja, Joaquin
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Electronic structure of porphyrin-based metal-organic frameworks and their suitability for solar fuel production photocatalysis

Journal of Materials Chemistry a
2015 | Journal article
DOI: 10.1039/c5ta06982c
WOSUID:

WOS:000365216000046
Contributors: Hamad, Said; Hernandez, Norge C.; Aziz, Alex; Rabdel Ruiz-Salvador, A.; Calero, Sofia; Grau-Crespo, Ricardo
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

New insights into organic-inorganic hybrid perovskite CH3NH3PbI3 nanoparticles. An experimental and theoretical study of doping in Pb(2+) sites with Sn(2+), Sr(2+), Cd(2+) and Ca(2.).

Nanoscale
2015 | Journal article
DOI: 10.1039/c5nr00041f
WOSUID:

MEDLINE:25779372
Contributors: Navas, Javier; Sanchez-Coronilla, Antonio; Gallardo, Juan Jesus; Cruz Hernandez, Norge; Pinero, Jose Carlos; Alcantara, Rodrigo; Fernandez-Lorenzo, Concha; De Los Santos, Desiree M; Aguilar, Teresa; Martin-Calleja, Joaquin
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Revealing the role of Pb(2+) in the stability of organic-inorganic hybrid perovskite CH3NH3Pb1-xCdxI3: an experimental and theoretical study.

Physical chemistry chemical physics : PCCP
2015 | Journal article
DOI: 10.1039/c5cp04009d
WOSUID:

MEDLINE:26308377
Contributors: Navas, Javier; Sanchez-Coronilla, Antonio; Gallardo, Juan Jesus; Martin, Elisa I; Hernandez, Norge C; Alcantara, Rodrigo; Fernandez-Lorenzo, Concha; Martin-Calleja, Joaquin
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Electronic and Structural Properties of Highly Aluminum Ion Doped TiO2 Nanoparticles: A Combined Experimental and Theoretical Study

Chemphyschem
2014 | Journal article
DOI: 10.1002/cphc.201402071
WOSUID:

WOS:000340175800012
Contributors: de los Santos, Desiree M.; Aguilar, Teresa; Sanchez-Coronilla, Antonio; Navas, Javier; Cruz Hernandez, Norge; Alcantara, Rodrigo; Fernandez-Lorenzo, Concha; Martin-Calleja, Joaquin
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Electronic structure of CdTe using GGA plus USIC

Physica B-Condensed Matter
2014 | Journal article
DOI: 10.1016/j.physb.2014.07.015
WOSUID:

WOS:000340928400020
Contributors: Menendez-Proupin, E.; Amezaga, A.; Hernandez, N. Cruz
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Experimental and theoretical study of the electronic properties of Cu-doped anatase TiO2

Physical Chemistry Chemical Physics
2014 | Journal article
DOI: 10.1039/c3cp54273d
WOSUID:

WOS:000330779700056
Contributors: Navas, Javier; Sanchez-Coronilla, Antonio; Aguilar, Teresa; Hernandez, Norge C.; de los Santos, Desiree M.; Sanchez-Marquez, Jesus; Zorrilla, David; Fernandez-Lorenzo, Concha; Alcantara, Rodrigo; Martin-Calleja, Joaquin
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Thermo-selective TmxTi1-xO2-x/2 nanoparticles: from Tm-doped anatase TiO2 to a rutile/pyrochlore Tm2Ti2O7 mixture. An experimental and theoretical study with a photocatalytic application.

Nanoscale
2014 | Journal article
DOI: 10.1039/c4nr03715d
WOSUID:

MEDLINE:25219888
Contributors: Navas, Javier; Sanchez-Coronilla, Antonio; Aguilar, Teresa; De Los Santos, Desiree M; Hernandez, Norge C; Alcantara, Rodrigo; Fernandez-Lorenzo, Concha; Martin-Calleja, Joaquin
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Draft Genome of the Marine Gammaproteobacterium Halomonas titanicae.

Genome announcements
2013 | Journal article
DOI: 10.1128/genomeA.00083-13
WOSUID:

MEDLINE:23516210
Contributors: Sanchez-Porro, Cristina; de la Haba, Rafael R; Cruz-Hernandez, Norge; Gonzalez, Juan M; Reyes-Guirao, Cristina; Navarro-Sampedro, Laura; Carballo, Modesto; Ventosa, Antonio
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: The Case of CeO(2) and Ce(2)O(3)

Journal of Chemical Theory and Computation
2011 | Journal article
DOI: 10.1021/ct100430q
WOSUID:

WOS:000285990300007
Contributors: Graciani, Jesus; Marquez, Antonio M.; Plata, Jose J.; Ortega, Yanaris; Hernandez, Norge C.; Meyer, Alessio; Zicovich-Wilson, Claudio M.; Sanz, Javier Fdez
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Nitrogen/gold codoping of the TiO(2)(101) anatase surface. A theoretical study based on DFT calculations

Physical Chemistry Chemical Physics
2011 | Journal article
DOI: 10.1039/c0cp02470h
WOSUID:

WOS:000291113200051
Contributors: Ortega, Yanaris; Cruz Hernandez, Norge; Menendez-Proupin, Eduardo; Graciani, Jesus; Fdez Sanz, Javier
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Density Functional Theory Study of the Interaction of Cu, Ag, and Au Atoms with the Regular CeO(2) (111) Surface

Journal of Physical Chemistry C
2010 | Journal article
DOI: 10.1021/jp910782r
WOSUID:

WOS:000273947600027
Contributors: Marta Branda, Maria; Hernandez, Norge C.; Fdez Sanz, Javier; Illas, Francesc
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Electronic charge transfer between ceria surfaces and gold adatoms: a GGA plus U investigation

Physical Chemistry Chemical Physics
2009 | Journal article
DOI: 10.1039/b820373c
WOSUID:

WOS:000267300000004
Contributors: Hernandez, Norge C.; Grau-Crespo, Ricardo; de Leeuw, Nora H.; Sanz, Javier Fdez.
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

First-principles study of ionic oxygen mobility of Sr-containing LaAlO(3) perovskite

Journal of Physics-Condensed Matter
2009 | Journal article
DOI: 10.1088/0953-8984/21/30/305502
WOSUID:

WOS:000267880100009
Contributors: Cruz Hernandez, Norge; Fernandez Sanz, Javier; Javier Alvarez, Luis
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO(2)(111)

Journal of Chemical Physics
2009 | Journal article
DOI: 10.1063/1.3216102
WOSUID:

WOS:000269625400023
Contributors: Marta Branda, Maria; Castellani, Norberto J.; Grau-Crespo, Ricardo; de Leeuw, Nora H.; Hernandez, Norge C.; Sanz, Javier F.; Neyman, Konstantin M.; Illas, Francesc
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Redox properties of gold-substituted zirconia surfaces

Journal of Materials Chemistry
2009 | Journal article
DOI: 10.1039/b812245h
WOSUID:

WOS:000262850400005
Contributors: Grau-Crespo, Ricardo; Hernandez, Norge Cruz; Sanz, Javier F.; de Leeuw, Nora H.
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Effect of on-site Coulomb repulsion term U on the band-gap states of the reduced rutile (110) TiO(2) surface

Physical Review B
2008 | Journal article
DOI: 10.1103/PhysRevB.77.045118
WOSUID:

WOS:000252863100037
Contributors: Calzado, Carmen J.; Hernandez, Norge Cruz; Sanz, Javier Fdez
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Classical molecular dynamics simulations of gold clusters deposited on rutile TiO2 (110) surface

Catalysis Today
2007 | Journal article
DOI: 10.1016/j.cattod.2007.07.011
WOSUID:

WOS:000250840600017
Contributors: Hernandez, Norge Cruz; Sanz, Javier Fdez.
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Theoretical investigation of the deposition of Cu, Ag, and Au atoms on the ZrO2(111) surface

Journal of Physical Chemistry C
2007 | Journal article
DOI: 10.1021/jp0704057
WOSUID:

WOS:000247966700050
Contributors: Grau-Crespo, Ricardo; Hernandez, Norge Cruz; Sanz, Javier F.; de Leeuw, Nora H.
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

From periodic DFT calculations to classical molecular dynamics simulations

Computational Materials Science
2006 | Journal article
DOI: 10.1016/j.commatsci.2004.09.052
WOSUID:

WOS:000234968500008
Contributors: Hernandez, NC; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Proposal for a modified Moller-Plesset perturbation theory

Physical Review a
2006 | Journal article
DOI: 10.1103/PhysRevA.73.012510
WOSUID:

WOS:000235008900084
Contributors: Cabo, A; Claro, F; Menendez-Proupin, E; Cruz-Hernandez, N; Fernandez-Sanz, J
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

The constrained space orbital variation analysis for periodic ab initio calculations

Journal of Chemical Physics
2006 | Journal article
DOI: 10.1063/1.2198528
WOSUID:

WOS:000237683200006
Contributors: Cruz Hernandez, N; Zicovich-Wilson, CM; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Unravelling the origin of the high-catalytic activity of supported Au: A density-functional theory-based interpretation

Journal of the American Chemical Society
2006 | Journal article
DOI: 10.1021/ja0670153
WOSUID:

WOS:000242575300026
Contributors: Cruz Hernandez, Norge; Fdez. Sanz, Javier; Rodriguez, Jose A.
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Cu, Ag and Au atoms deposited on the alpha-Al2O3(0001) surface: a comparative density functional study

Surface Science
2005 | Journal article
DOI: 10.1016/j.susc.2004.11.022
WOSUID:

WOS:000226822900023
Contributors: Hernandez, NC; Graciani, J; Marquez, A; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Interaction potentials from periodic density-functional theory calculations: Molecular-dynamics simulations of Au clusters deposited on the TiN (001) surface

Journal of Chemical Physics
2005 | Journal article
DOI: 10.1063/1.2140702
WOSUID:

WOS:000234340100037
Contributors: Hernandez, NC; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Mechanism of Cu deposition on the alpha-Al2O3 (0001) surface

Physical Review Letters
2005 | Journal article
DOI: 10.1103/PhysRevLett.94.016104
WOSUID:

WOS:000226308000053
Contributors: Sanz, JF; Hernandez, NC
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Atomistic simulations of Cu deposition on the alpha-Al2O3 (0001) surface

Journal of Molecular Structure-Theochem
2004 | Journal article
DOI: 10.1016/j.theochem.2003.12.056
WOSUID:

WOS:000225486900012
Contributors: Hernandez, NC; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Density functional theory study of Co, Rh, and Ir atoms deposited on the alpha-Al2O3(0001) surface

Journal of Physical Chemistry B
2004 | Journal article
DOI: 10.1021/jp048245b
WOSUID:

WOS:000224213500033
Contributors: Hernandez, NC; Marquez, A; Sanz, JF; Gomes, JRB; Illas, F
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

First principles simulations of Cu and Au deposition on alpha-Al2O3 (0001) surface

Applied Surface Science
2004 | Journal article
DOI: 10.1016/j.apsusc.2004.05.234
WOSUID:

WOS:000224655200045
Contributors: Hernandez, NC; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Relaxation of the (001) surface in binary Sc, Ti and V nitrides: a first principles density functional study

Surface Science
2003 | Journal article
DOI: 10.1016/S0039-6028(03)00927-0
WOSUID:

WOS:000184970600020
Contributors: Hernandez, NC; Graciani, J; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

A DFT study of Au deposition on (001) surface of TiN

Nitrides and Oxynitrides 2
2002 | Book chapter
WOSUID:

WOS:000174813000023
Contributors: Hernandez, NC; Sanz, JF; Pomeroy, MJ; Hampshire, S; Centeno, MA; Odriozola, JA; Laurent, Y
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

First principles study of Cu atoms deposited on the alpha-Al2O3(0001) surface

Journal of Physical Chemistry B
2002 | Journal article
DOI: 10.1021/jp020643w
WOSUID:

WOS:000179011500013
Contributors: Hernandez, NC; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Interaction of Pd with alpha-Al2O3(0001): A case study of modeling the metal-oxide interface on complex substrates

Physical Review B
2002 | Journal article
DOI: 10.1103/PhysRevB.65.125414
WOSUID:

WOS:000174938800092
Contributors: Gomes, JRB; Illas, F; Hernandez, NC; Marquez, A; Sanz, JF
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID

Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001)

Journal of Chemical Physics
2002 | Journal article
DOI: 10.1063/1.1429642
WOSUID:

WOS:000173384200051
Contributors: Gomes, JRB; Illas, F; Hernandez, NC; Sanz, JF; Wander, A; Harrison, NM
Source: Self-asserted source
Norge Cruz Hernandez via ResearcherID
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