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Scopus Author ID: 35472540700

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Universidad de Chile: Santiago, RM, CL

(Facultad de Ciencias - Departamento de Química)
Employment
Source: Self-asserted source
Fernando Mendizabal

Works (50 of 113)

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Page 1 of 3

Is there a Covalent Au(I)-Au(I) Bond in the trans-(AuX)<sub>2</sub> (X = F, Cl, Br, I) Structure? A Post-Hartree-Fock and Density Functional Theory Study

Inorganic Chemistry
2023 | Journal article
DOI: 10.1021/acs.inorgchem.3c01547
EID:

2-s2.0-85172425986

Part of ISSN: 1520510X 00201669
Contributors: Lara, D.; Santibañez, D.; Miranda-Rojas, S.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Understanding lead and mercury adsorption by post-synthetically modified linkers in UiO-66 MOF. A computational theoretical study

Molecular Simulation
2023 | Journal article
DOI: 10.1080/08927022.2023.2171073
EID:

2-s2.0-85147592977

Part of ISSN: 10290435 08927022
Contributors: Santibañez, D.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

A mechanistic DFT study of Z-selective ring-opening metathesis polymerization by MAP catalysts

Molecular Catalysis
2022 | Journal article
DOI: 10.1016/j.mcat.2022.112418
EID:

2-s2.0-85131662065

Part of ISSN: 24688231
Contributors: Paredes-Gil, K.; Sivasamy, R.; Mendizábal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Closed-shell d10-d10 in [AuCl(CNR)]n and [AuCl(CO)]n (n = 1, 2; R =-H,-CH3,-Cy) complexes: Quantum chemistry study of their electronic and optical properties

RSC Advances
2022 | Journal article
DOI: 10.1039/d1ra07269b
EID:

2-s2.0-85127165202

Part of ISSN: 20462069
Contributors: Mendizabal, F.; Miranda-Rojas, S.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Quantum chemistry study in metallophilic interactions on complexes based in Au(I)-Pb(II) and Au(I)-Bi(III)

Molecular Simulation
2022 | Journal article
DOI: 10.1080/08927022.2022.2068802
EID:

2-s2.0-85132669134

Part of ISSN: 10290435 08927022
Contributors: Santibañez, D.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Time-dependent density functional theory studies of the optical and electronic properties of the [M<sub>25</sub>(MPA)<sub>18</sub>]<sup>−</sup> (M = Au, Ag, MPA = SCH<sub>2</sub>CH<sub>2</sub>COOH) clusters

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/d2cp02937e
EID:

2-s2.0-85139739718

Part of ISSN: 14639076
Contributors: Orellana, C.; Miranda-Rojas, S.; Sundholm, D.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity

International Journal of Molecular Sciences
2022-09 | Journal article | Author
DOI: 10.3390/ijms231810339
Contributors: Kevin Blanco-Esperguez; Iñaki Tuñón; Johannes Kästner; Fernando Mendizabal; Sebastian Miranda
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎

Designing boron and metal complexes for fluoride recognition: A computational perspective

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/d1cp02514g
EID:

2-s2.0-85117769894

Part of ISSN: 14639076
Contributors: Orenha, R.P.; Peixoto, L.B.; Caramori, G.F.; Piotrowski, M.J.; De Araújo Batista, K.E.; Contreras-Garcia, J.; Cardenas, C.; Morgon, N.H.; Mendizabal, F.; Parreira, R.L.T.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Role of β-CD Macromolecule Anchored to α-Fe<sub>2</sub>O<sub>3</sub>/TiO<sub>2</sub>on the Selectivity and Partial Oxidation of Guaiacol to Add-Value Products

ACS Sustainable Chemistry and Engineering
2021 | Journal article
DOI: 10.1021/acssuschemeng.1c03528
EID:

2-s2.0-85114382530

Part of ISSN: 21680485
Contributors: Espinoza-Villalobos, N.; Rojas, S.; Salazar, R.A.; Contreras, D.; Escalona, N.; Vergara, E.; Laguna-Bercero, M.A.; Mendizabal, F.; Barrientos, L.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study

Biomolecules
2021-07 | Journal article | Author
DOI: 10.3390/biom11071051
Contributors: Sebastian Miranda; Kevin Blanco-Esperguez; Iñaki Tuñón; Johannes Kästner; Fernando Mendizabal
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎

Electronic and optical properties of [Au(CH<sub>3</sub>CSS)]<sub>4</sub>cluster. A quantum chemistry study

RSC Advances
2020 | Journal article
DOI: 10.1039/d0ra06982e
EID:

2-s2.0-85091229548

Part of ISSN: 20462069
Contributors: Mendizabal, F.; Miranda-Rojas, S.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Exploration of the interaction strength at the interface of anionic chalcogen anchors and gold (111)‐based nanomaterials

Nanomaterials
2020 | Journal article
DOI: 10.3390/nano10061237
EID:

2-s2.0-85087126725

Part of ISSN: 20794991
Contributors: Miranda‐rojas, S.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Insights into the role of D-A-π-A type pro-aromatic organic dyes with thieno[3,4-b]pyrazine as A acceptor group into dye-sensitized solar-cells. A TD-DFT/periodic DFT study

International Journal of Quantum Chemistry
2020 | Journal article
DOI: 10.1002/qua.26108
EID:

2-s2.0-85075483059

Part of ISSN: 1097461X 00207608
Contributors: Paredes-Gil, K.; Páez-Hernández, D.; Arratia-Pérez, R.; Mendizábal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

On the recognition of chloride, bromide and nitrate anions by anthracene-squaramide conjugated compounds: A computational perspective

New Journal of Chemistry
2020 | Journal article
DOI: 10.1039/d0nj03685d
EID:

2-s2.0-85094608640

Part of ISSN: 13699261 11440546
Contributors: Orenha, R.P.; Da Silva, V.B.; Caramori, G.F.; De Souza Schneider, F.S.; Piotrowski, M.J.; Contreras-Garcia, J.; Cardenas, C.; Briese Gonçalves, M.; Mendizabal, F.; Parreira, R.L.T.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Quantum chemistry simulation of the electronic properties in [Au(NH<sub>3</sub>)<sub>2</sub>]NO<sub>3</sub> and [Au(NCH)<sub>2</sub>][AuCl<sub>4</sub>] extended unsupported complexes

Molecular Simulation
2020 | Journal article
DOI: 10.1080/08927022.2020.1735634
EID:

2-s2.0-85081038553

Part of ISSN: 10290435 08927022
Contributors: Mendizabal, F.; Miranda-Rojas, S.; Castro-Latorre, P.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical exploration of the forces governing the interaction between gold-phthalocyanine and gold surface clusters

RSC Advances
2020 | Journal article
DOI: 10.1039/c9ra07959a
EID:

2-s2.0-85078705826

Part of ISSN: 20462069
Contributors: Castro-Latorre, P.; Miranda-Rojas, S.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Catalytic activity of iron phthalocyanine for the oxidation of thiocyanate and L-cysteine anchored on Au(111) clusters

Molecular Simulation
2019 | Journal article
DOI: 10.1080/08927022.2019.1654607
EID:

2-s2.0-85070870323

Part of ISSN: 10290435 08927022
Contributors: Castro-Latorre, P.; Miranda-Rojas, S.; Barrientos, L.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysis

Journal of Molecular Modeling
2019 | Journal article
DOI: 10.1007/s00894-019-4150-0
EID:

2-s2.0-85071896954

Part of ISSN: 09485023 16102940
Contributors: Paredes-Gil, K.; Mendizábal, F.; Jaque, P.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Noncovalent interactions in inorganic supramolecular chemistry based in heavy metals. Quantum chemistry point of view

International Journal of Quantum Chemistry
2019 | Journal article
DOI: 10.1002/qua.25675
EID:

2-s2.0-85052936097

Part of ISSN: 1097461X 00207608
Contributors: Barrientos, L.; Miranda-Rojas, S.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase

ChemCatChem
2018 | Journal article
DOI: 10.1002/cctc.201701517
EID:

2-s2.0-85041110552

Part of ISSN: 18673899 18673880
Contributors: Miranda-Rojas, S.; Fernández, I.; Kästner, J.; Toro-Labbé, A.; Mendizábal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Electronic and optical properties of metalloporphyrins of zinc on TiO<sub>2</sub> cluster in dye-sensitized solar-cells (DSSC). A quantum chemistry study

RSC Advances
2017 | Journal article
DOI: 10.1039/c7ra08648b
EID:

2-s2.0-85029128495

Part of ISSN: 20462069
Contributors: Mendizabal, F.; Mera-Adasme, R.; Xu, W.-H.; Sundholm, D.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Electronic structure and optical properties calculation of Zn-porphyrin with N-annulated perylene adsorbed on TiO<sub>2</sub> model for dye-sensitized solar cell applications: A DFT/TD-DFT study

Computational Materials Science
2017 | Journal article
DOI: 10.1016/j.commatsci.2016.09.042
EID:

2-s2.0-84994048474

Part of ISSN: 09270256
Contributors: Paredes-Gil, K.; Mendizabal, F.; Páez-Hernández, D.; Arratia-Pérez, R.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Palmitic acid and hexadecylamine molecules assdsorbed on titania surface in hybrid composites. Effect of surfactants using density functional theory

Computational and Theoretical Chemistry
2017 | Journal article
DOI: 10.1016/j.comptc.2017.04.006
EID:

2-s2.0-85017562006

Part of ISSN: 2210271X
Contributors: Orellana, C.; Mendizábal, F.; González, G.; Miranda-Rojas, S.; Barrientos, L.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Tailoring electroactive surfaces by non-template molecular assembly. Towards electrooxidation of L-cysteine

Electrochimica Acta
2017 | Journal article
DOI: 10.1016/j.electacta.2017.09.082
EID:

2-s2.0-85030096865

Part of ISSN: 00134686
Contributors: Santander-Nelli, M.; Silva, C.P.; Espinoza-Vergara, J.; Silva, J.F.; Olguín, C.F.; Cortés-Arriagada, D.; Zagal, J.H.; Mendizabal, F.; Díez-Pérez, I.; Pavez, J.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells

Physical Chemistry Chemical Physics
2016 | Journal article
DOI: 10.1039/c6cp04627d
EID:

2-s2.0-84991648576

Part of ISSN: 14639076
Contributors: Mera-Adasme, R.; Xu, W.-H.; Sundholm, D.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role

Physical Chemistry Chemical Physics
2016 | Journal article
DOI: 10.1039/c6cp06156g
EID:

2-s2.0-84994010451

Part of ISSN: 14639076
Contributors: Miranda-Rojas, S.; Sierra-Rosales, P.; Muñoz-Castro, A.; Arratia-Pérez, R.; Zagal, J.H.; Mendizábal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Improvement of photovoltaic performance by substituent effect of donor and acceptor structure of TPA-based dye-sensitized solar cells

Journal of Molecular Modeling
2016 | Journal article
DOI: 10.1007/s00894-015-2893-9
EID:

2-s2.0-84953384043

Part of ISSN: 09485023 16102940
Contributors: Inostroza, N.; Mendizabal, F.; Arratia-Pérez, R.; Orellana, C.; Linares-Flores, C.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au<sub>12</sub> and PAH via Relativistic DFT Calculations

Journal of Physical Chemistry C
2016 | Journal article
DOI: 10.1021/acs.jpcc.5b12580
EID:

2-s2.0-84964462252

Part of ISSN: 19327455 19327447
Contributors: Muñoz-Castro, A.; Gomez, T.; Carey, D.M.; Miranda-Rojas, S.; Mendizabal, F.; Zagal, J.H.; Arratia-Perez, R.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical aspects of the reactivity of MN4 macrocyclics in electrochemical reactions

Electrochemistry of N4 Macrocyclic Metal Complexes: Volume 1: Energy, Second Edition
2016 | Book chapter
Part of DOI: 10.1007/978-3-319-31172-2_5
EID:

2-s2.0-84978193841
Contributors: Miranda-Rojas, S.; Muñoz-Castro, A.; Arratia-Pérez, R.; Mendizábal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials

RSC Advances
2016 | Journal article
DOI: 10.1039/c5ra21964g
EID:

2-s2.0-84955264503

Part of ISSN: 20462069
Contributors: Miranda-Rojas, S.; Salazar-Molina, R.; Kästner, J.; Arratia-Pérez, R.; Mendizábal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

A comparative study between post-Hartree-Fock methods and density functional theory in closed-shell aurophilic attraction

Computational and Theoretical Chemistry
2015 | Journal article
DOI: 10.1016/j.comptc.2015.01.021
EID:

2-s2.0-84922972531

Part of ISSN: 2210271X
Contributors: Mendizabal, F.; Miranda-Rojas, S.; Barrientos-Poblete, L.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Interaction of LD14 and TiO<sub>2</sub> in dye-sensitized solar-cells (DSSC): A density functional theory study

Computational and Theoretical Chemistry
2015 | Journal article
DOI: 10.1016/j.comptc.2015.08.005
EID:

2-s2.0-84941281304

Part of ISSN: 2210271X
Contributors: Mendizabal, F.; Lopéz, A.; Arratia-Pérez, R.; Zapata-Torres, G.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Interaction of YD2 and TiO<sub>2</sub> in dye-sensitized solar cells (DSSCs): a density functional theory study

Journal of Molecular Modeling
2015 | Journal article
DOI: 10.1007/s00894-015-2771-5
EID:

2-s2.0-84939166869

Part of ISSN: 09485023 16102940
Contributors: Mendizabal, F.; Lopéz, A.; Arratia-Pérez, R.; Inostroza, N.; Linares-Flores, C.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Substituents role in zinc phthalocyanine derivatives used as dye-sensitized solar cells. A theoretical study using Density Functional Theory

Chemical Physics Letters
2015 | Journal article
DOI: 10.1016/j.cplett.2015.09.025
EID:

2-s2.0-84943412991

Part of ISSN: 00092614
Contributors: Linares-Flores, C.; Mendizabal, F.; Arratia-Pérez, R.; Inostroza, N.; Orellana, C.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical study on interactions of fluorinated organomercurials with arene and gold fragments

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c5cp04503g
EID:

2-s2.0-84942759761

Part of ISSN: 14639076
Contributors: Mendizabal, F.; Miranda-Rojas, S.; Barrientos, L.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)

Physical Chemistry Chemical Physics
2013 | Journal article
DOI: 10.1039/c3cp53591f
EID:

2-s2.0-84888321915

Part of ISSN: 14639076
Contributors: Miranda-Rojas, S.; Muñoz-Castro, A.; Arratia-Pérez, R.; Mendizábal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical study of complexes of the type [Pt<sub>3</sub>(M-L) <sub>3</sub>(L')<sub>3</sub>]-X (L=CO, SO<sub>2</sub>,CNH; L'=PH <sub>3</sub>,CNH; X=Tl<sup>+</sup>, Hg<sup>0</sup>, MPH<sub>3</sub><sup>+</sup> (M = Cu, Au, Ag))

Journal of the Chilean Chemical Society
2013 | Journal article
DOI: 10.4067/S0717-97072013000100014
EID:

2-s2.0-84882607965

Part of ISSN: 07179707 07179324
Contributors: Mendizabal, F.; Donoso, D.; Salazar, R.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical study on electronic spectra and interaction in [Au <sub>3</sub>]-L-[Au<sub>3</sub>] (L = C<sub>6</sub>F<sub>6</sub>,Ag<sup>+</sup>) complexes

Journal of Molecular Modeling
2013 | Journal article
DOI: 10.1007/s00894-012-1570-5
EID:

2-s2.0-84893013800

Part of ISSN: 09485023 16102940
Contributors: Mendizabal, F.; Salazar, R.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Computational studies of the metal-binding site of the wild-type and the H46R mutant of the copper, zinc superoxide dismutase

Inorganic Chemistry
2012 | Journal article
DOI: 10.1021/ic202416d
EID:

2-s2.0-84861302581

Part of ISSN: 00201669
Contributors: Mera-Adasme, R.; Mendizábal, F.; Gonzalez, M.; Miranda-Rojas, S.; Olea-Azar, C.; Sundholm, D.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Electrochemical, ESR and theoretical insights into the free radical generation by 1,1'-hydrocarbylenebisindazoles and its evaluation as potential bio-active compounds

International Journal of Electrochemical Science
2012 | Journal article
EID:

2-s2.0-84864000736

Part of ISSN: 14523981
Contributors: Aguilera-Venegas, B.; Olea-Azar, C.; Arán, V.J.; Maya, J.D.; Kemmerling, U.; Speisky, H.; Mendizábal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Enhancement of the catalytic activity of fe phthalocyanine for the reduction of O <sub>2</sub> anchored to Au(111) via conjugated self-assembled monolayers of aromatic thiols as compared to Cu phthalocyanine

Journal of Physical Chemistry C
2012 | Journal article
DOI: 10.1021/jp301093q
EID:

2-s2.0-84864276224

Part of ISSN: 19327447 19327455
Contributors: Ponce, I.; Silva, J.F.; Oñate, R.; Rezende, M.C.; Paez, M.A.; Zagal, J.H.; Pavez, J.; Mendizabal, F.; Miranda-Rojas, S.; Muñoz-Castro, A. et al.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical study of the local reactivity of electrophiles of the type MPR <sub>3</sub><sup>+</sup> (M=Cu, Ag, Au ;R=-H, -Me, -Ph)

Journal of Molecular Modeling
2012 | Journal article
DOI: 10.1007/s00894-011-1213-2
EID:

2-s2.0-84861229402

Part of ISSN: 16102940 09485023
Contributors: Burgos, D.; Olea-Azar, C.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

A computationally efficient and reliable bond order measure

Journal of Physical Chemistry A
2011 | Journal article
DOI: 10.1021/jp107498h
EID:

2-s2.0-79955541648

Part of ISSN: 10895639 15205215
Contributors: Mera-Adasme, R.; Mendizábal, F.; Olea-Azar, C.; Miranda-Rojas, S.; Fuentealba, P.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Basicity of bisperhalophenyl aurates toward closed-shell metal ions: Metallophilicity and additional interactions

Theoretical Chemistry Accounts
2011 | Journal article
DOI: 10.1007/s00214-011-0902-3
EID:

2-s2.0-79955976140

Part of ISSN: 1432881X
Contributors: López-de-Luzuriaga, J.M.; Monge, M.; Olmos, M.E.; Rodríguez-Castillo, M.; Laguna, A.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

ESR, electrochemical, molecular modeling and biological evaluation of 4-substituted and 1,4-disubstituted 7-nitroquinoxalin-2-ones as potential anti-Trypanosoma cruzi agents

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
2011 | Journal article
DOI: 10.1016/j.saa.2010.12.017
EID:

2-s2.0-79951517485

Part of ISSN: 13861425
Contributors: Aguilera-Venegas, B.; Olea-Azar, C.; Norambuena, E.; Arán, V.J.; Mendizábal, F.; Lapier, M.; Maya, J.D.; Kemmerling, U.; López-Muñoz, R.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical and experimental study of bonding and optical properties of self-assembly metallophthalocyanines complexes on a gold surface. A survey of the substrate-surface interaction

Journal of Physical Chemistry C
2011 | Journal article
DOI: 10.1021/jp208734f
EID:

2-s2.0-82155170571

Part of ISSN: 19327447 19327455
Contributors: Ponce, I.; Silva, J.F.; Oñate, R.; Miranda-Rojas, S.; Muñoz-Castro, A.; Arratia-Pérez, R.; Mendizabal, F.; Zagal, J.H.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical study of the closed-shell d<sup>10</sup>-d<sup>10</sup> Au(I)-Cu(I) attraction in complexes in extended unsupported chains

Computational and Theoretical Chemistry
2011 | Journal article
DOI: 10.1016/j.comptc.2011.01.040
EID:

2-s2.0-80155171086

Part of ISSN: 2210271X
Contributors: Rodríguez-Castillo, M.; Monge, M.; López-de-Luzuriaga, J.M.; Olmos, M.E.; Laguna, A.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical study of the interaction between Pt(0) and MPH<sub>3</sub><sup>+</sup> fragments in complexes of the [Pt<sub>3</sub> (μ-CO)<sub>3</sub>(PH<sub>3</sub>)<sub>3</sub>]-MPH<sub>3</sub><sup>+</sup> (M = Cu<sup>+</sup>, Au<sup>+</sup>, Ag<sup>+</sup>) type

Theoretical Chemistry Accounts
2011 | Journal article
DOI: 10.1007/s00214-010-0856-x
EID:

2-s2.0-79955932351

Part of ISSN: 1432881X
Contributors: Donoso, D.; Mendizabal, F.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical study of the protonation of [Pt<sub>3</sub>(μ-L) <sub>3</sub>(L′)<sub>3</sub>] (L = CO, SO<sub>2</sub>, CNH; L′ = PH<sub>3</sub>, CNH)

Chemical Physics Letters
2011 | Journal article
DOI: 10.1016/j.cplett.2011.08.068
EID:

2-s2.0-80053247578

Part of ISSN: 00092614
Contributors: Mendizabal, F.; Donoso, D.; Burgos, D.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier

Theoretical EPR study of nitroindazoles: 3-alkoxy, 3-hydroxy and 3-oxo derivatives

Journal of the Brazilian Chemical Society
2010 | Journal article
DOI: 10.1590/s0103-50532010001000020
EID:

2-s2.0-77958060246

Part of ISSN: 16784790 01035053
Contributors: Rodriguez-Becerra, J.; Olea-Azar, C.; Zapata-Torres, G.; Mendizabal, F.; Gonzáles, M.; Cerecetto, H.
Source: Self-asserted source
Fernando Mendizabal via Scopus - Elsevier
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