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Mendizábal Emaldía, Fernando (89)
Olea Azar, Claudio (17)Arratia Pérez, Ramiro (16)Miranda Rojas, Sebastián (15)Aizman, Arie (8)Contreras Ramos, Renato (8)Laguna, Antonio (7)López de Luzuriaga, José M. (6)Monge, Miguel (6)Burgos, Darwin (5)... View MoreSubjectPhysical and Theoretical Chemistry (18)Physics and Astronomy (all) (8)DFT (6)Condensed Matter Physics (4)Electronic spectra (4)Inorganic Chemistry (4)Atomic and Molecular Physics, and Optics (3)Coordination energies (3)Density functional calculations (3)Gold (3)... View MoreDate Issued2010 - 2020 (41)2000 - 2009 (36)1992 - 1999 (12)Document typeArtículo de revista (89)
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Artículountranslated
A comparative study between post-Hartree–Fock methods and density functional theory in closed-shell aurophilic attraction 
Mendizábal Emaldía, Fernando; Miranda Rojas, Sebastián; Barrientos Poblete, Lorena (Elsevier, 2015)
Artículountranslated
Theoretical study of the aggregation of d(10)-s(2) Au(I)-Tl(I) complexes in extended unsupported chains 
Fernández, Eduardo J.; Laguna, Antonio; López de Luzuriaga, José M.; Monge, Miguel; Mendizábal Emaldía, Fernando (ELSEVIER, 2008)
Artículountranslated
Tailoring electroactive surfaces by non template molecular assembly. Towards electrooxidation of L-cysteine 
Santander Nelli, Mireya; Silva, Carlos P.; Espinoza Vergara, Javier; Silva, Juan F.; Olguín, Camila F.; Cortés Arriagada, Diego; Zagal Moya, José H.; Mendizábal Emaldía, Fernando; Díez Pérez, Ismael; Pavez, Jorge (Elsevier, 2017)
Artículountranslated
Unraveling the nature of the catalytic power of fluoroacetate dehalogenase 
Miranda Rojas, Sebastián; Fernández, Israel; Kaestner, Johannes; Toro Labbé, Alejandro; Mendizábal Emaldía, Fernando (Wiley, 2018)
Artículountranslated
Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials 
Miranda Rojas, Sebastián; Salazar Molina, Richard; Kaestner, Johannes; Arratia Pérez, Ramiro; Mendizábal Emaldía, Fernando (Royal Soc. Chemistry, 2016)
Artículountranslated
Electronic and optical properties of metalloporphyrins of zinc on TiO2 cluster in dye sensitized solar cells (DSSC). A quantum chemistry study 
Mendizábal Emaldía, Fernando; Mera Adasme, Raúl; Xu, Wen Hua; Sundholm, Dage (Royal Society of Chemistry, 2017)
Artículountranslated
Theoretical study of the closed-shell d(10)-d(10) Au(I)-Cu(I) attraction in complexes in extended unsupported chains 
Rodríguez Castillo, María; Monge, Miguel; López de Luzuriaga, José M.; Olmos, M. Elena; Laguna, Antonio; Mendizábal Emaldía, Fernando (Elsevier, 2011-04)
Artículountranslated
Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)(7)](3-) and [Re(CN)(7)](4-) complexes 
David, Jorge; Mendizábal Emaldía, Fernando; Arratia Pérez, Ramiro (AMER CHEMICAL SOC, 2006-06-26)
Artículountranslated
Electronic structure and molecular properties of the octacyanorhenate [Re(CN)(8)](3-) and [Re(CN)(8)](2-) complexes 
David, Jorge; Mendizábal Emaldía, Fernando; Arratia Pérez, Ramiro (ELSEVIER, 2006-04-28)
Artículountranslated
Complexes self-associate by hydrogen bonding and metallophilic attraction: Theoretical study 
Mendizábal Emaldía, Fernando; Reyes, Dana; Olea Azar, Claudio (JOHN WILEY, 2006-03-15)
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