Publicaciones ISI DCQ-2012

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ADDRESS: (Univ Andres Bello) AND YEAR PUBLISHED: (2014) AND ADDRESS: ((Dept Ciencias Quim) OR (Dept Quim))



1   D. R. Alcoba, L. Lain, A. Torre, O. B. Ona and W. Tiznado, Ground and excited state similarity studies by means of Fukui and dual-descriptor matrices, Chemical Physics Letters, 2012, 549, 103.

2   D. R. Alcoba, W. Tiznado, O. B. Ona, A. Torre and L. Lain, Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach, Chemical Physics Letters, 2012, 533, 114.

3   O. Alvarado, G. Jana and E. J. Delgado, Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP, Journal of Computer-Aided Molecular Design, 2012, 26, 977.

4   E. Baeza, K. Catalan, H. Pena-Cortes, L. Espinoza, J. Villena and H. Carrasco, SYNTHESIS OF GERANYLHYDROQUINONE DERIVATIVES WITH POTENCIAL CYTOTOXIC ACTIVITY, Quimica Nova, 2012, 35, 523.

5   C. A. Barboza, R. Arratia-Perez and D. MacLeod Carey, Theoretical study of 3,3 ‘ substitution of 9,9,9 ‘,9 ‘-tetramethyl-fluorene-dimers, Chemical Physics Letters, 2012, 538, 67.

6   C. A. Barboza, E. Barboza, R. Arratia-Perez and D. MacLeod Carey, Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives, Chemical Physics Letters, 2012, 545, 88.

7   C. A. Barboza, P. A. Muniz Vazquez, D. M.-L. Carey and R. Arratia-Perez, A TD-DFT basis set and density functional assessment for the calculation of electronic excitation energies of fluorene, International Journal of Quantum Chemistry, 2012, 112, 3434.

8   M. Belen Oviedo, X. Zarate, C. F. A. Negre, E. Schott, R. Arratia-Perez and C. G. Sanchez, Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO2 Solar Cells, Journal of Physical Chemistry Letters, 2012, 3, 2548.

9   J. Brito, A. Pozo, C. Garcia, L. J. Nunez-Vergara, J. Morales, G. Guenther and N. Pizarro, PHOTODEGRADATION OF NIMODIPINE AND FELODIPINE IN MICROHETEROGENEOUS SYSTEMS, Journal of the Chilean Chemical Society, 2012, 57, 1313.

10   J. Caballero, S. Zilocchi, W. Tiznado and S. Collina, Docking and quantitative structure-activity relationship studies for imidazo 1,2-a pyrazines as inhibitors of checkpoint kinase-1, Medicinal Chemistry Research, 2012, 21, 1912.

11   J. Caballero, S. Zilocchi, W. Tiznado, D. Rossi and S. Collina, Models of the pharmacophoric pattern and affinity trend of methyl 2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate derivatives as sigma(1) ligands, Molecular Simulation, 2012, 38, 227.

12   J. Camacho Gonzalez and A. Munoz-Castro, Survey of the magnetic behavior of TTF and TTF2 (2+) from shielding tensor maps, Chemical Physics Letters, 2012, 543, 184.

13   H. Carrasco, M. Raimondi, L. Svetaz, M. Di Liberto, M. V. Rodriguez, L. Espinoza, A. Madrid and S. Zacchino, Antifungal Activity of Eugenol Analogues. Influence of Different Substituents and Studies on Mechanism of Action, Molecules, 2012, 17, 1002.

14   E. Chamorro, J. Bessolo, M. Duque-Norena and P. Perez, Intrinsic electronic reorganization energy in the electron transfer from substituted N,N-dimethylanilines to phthalimide N-oxyl radical, Chemical Physics Letters, 2012, 534, 67.

15   J. Z. Chandanshive, P. B. Gonzalez, W. Tiznado, B. F. Bonini, J. Caballero, C. Femoni and M. C. Franchini, 1,3-Dipolar cycloaddition of nitrile imines with alpha,beta-unsaturated lactones, thiolactones and lactams: synthesis of ring-fused pyrazoles, Tetrahedron, 2012, 68, 3319.

16   R. S. Chauhan, G. Kedarnath, A. Wadawale, A. L. Rheingold, A. Munoz-Castro, R. Arratia-Perez and V. K. Jain, Reactivity of Dipyridyl Ditellurides with (Diphosphine)Pt-0 and 2-Pyridyltellurolates with (Diphosphine)PtCl2 and Isolation of Different Structural Motifs of Platinum(II) Complexes, Organometallics, 2012, 31, 1743.

17   A. Cornejo, C. Areche, E. Perez, B. Sepulveda and R. B. Maccioni, Might paretin have effect against tau protein?, Planta Medica, 2012, 78, 1089.

18   A. Cuetos, A. Rioz-Martinez, M. L. Valenzuela, I. Lavandera, G. de Gonzalo, G. A. Carriedo and V. Gotor, Immobilized redox enzymatic catalysts: Baeyer-Villiger monooxygenases supported on polyphosphazenes, Journal of Molecular Catalysis B-Enzymatic, 2012, 74, 178.

19   C. Diaz, M. Luisa Valenzuela, D. Carrillo, J. Riquelme and R. Diaz, The Inclusion of Organometallic Derivatives of Cyclotriphosphazenes Inside SiO2 Matrix and Their Conversion to Nanostructured Metal-Oxides and Phosphates, Journal of Inorganic and Organometallic Polymers and Materials, 2012, 22, 1101.

20   C. Diaz, M. Luisa Valenzuela, D. Garrido and P. Aguirre, SOL-GEL INCORPORATION OF ORGANOMETALLIC COMPOUNDS INTO SILICA: USEFUL PRECURSORS TO METALLIC NANOSTRUCTURED MATERIALS, Journal of the Chilean Chemical Society, 2012, 57, 1155.

21   C. Diaz, M. Luisa Valenzuela, V. Lavayen and C. O’Dwyer, Layered Graphitic Carbon Host Formation during Liquid-free Solid State Growth of Metal Pyrophosphates, Inorganic Chemistry, 2012, 51, 6228.

22   C. Diaz Valenzuela, G. A. Carriedo, M. Luisa Valenzuela, L. Zuniga and C. O’Dwyer, Polymer/Trimer/Metal Complex Mixtures as Precursors of Gold Nanoparticles: Tuning the Morphology in the Solid-State, Journal of Inorganic and Organometallic Polymers and Materials, 2012, 22, 447.

23   L. R. Domingo, M. J. Aurell, P. Perez and J. A. Saez, Understanding the origin of the asynchronicity in bond-formation in polar cycloaddition reactions. A DFT study of the 1,3-dipolar cycloaddition reaction of carbonyl ylides with 1,2-benzoquinones, Rsc Advances, 2012, 2, 1334.

24   L. R. Domingo, P. Perez, M. Jose Aurell and J. A. Saez, Understanding the Bond Formation in Hetero-Diels-Alder Reactions. An ELF Analysis of the Reaction of Nitroethylene with Dimethylvinylamine, Current Organic Chemistry, 2012, 16, 2343.

25   L. R. Domingo, P. Perez and J. A. Saez, Origin of the synchronicity in bond formation in polar Diels-Alder reactions: an ELF analysis of the reaction between cyclopentadiene and tetracyanoethylene, Organic & Biomolecular Chemistry, 2012, 10, 3841.

26   C. Echeverria, A. Becerra, F. Nunez-Villena, A. Munoz-Castro, J. Stehberg, Z. Zheng, R. Arratia-Perez, F. Simon and R. Ramirez-Tagle, The paramagnetic and luminescent Re6Se8I6 (3-) cluster. Its potential use as an antitumoral and biomarker agent, New Journal of Chemistry, 2012, 36, 927.

27   F. Ferraro, C. Aparecida Barboza and R. Arratia-Perez, A Relativistic Study of the Electronic and Magnetic Properties of Cerocene and Thorocene and Its Anions, Journal of Physical Chemistry A, 2012, 116, 4170.

28   F. Ferraro and R. Arratia-Perez, Bonding, energetic, electronic delocalization and optical properties of MCp3 complexes, where M = Sc, Y, La, Ac, Lu, Ce, Yb and Th, Chemical Physics Letters, 2012, 554, 219.

29   F. Ferraro and C. Z. Hadad, Up-Conversion and Migration by Energy Transfer: A Mixed Model for Doped Luminescent Solids, Journal of Physical Chemistry C, 2012, 116, 7134.

30   B. M. Fraga, R. Guillermo, M. G. Hernandez, M. C. Chamy and J. A. Garbarino, The Incubation of 13 alpha,17-Dihydroxystemodane with Cephalosporium aphidicola, Molecules, 2012, 17, 1744.

31   O. Garcia-Beltran, C. Gonzalez, E. G. Perez, B. K. Cassels, J. G. Santos, D. Millan, N. Mena, P. Pavez and M. E. Aliaga, Nucleophilic reactivity of biothiols toward coumarin-based derivatives containing a chalcone moiety, Journal of Physical Organic Chemistry, 2012, 25, 946.

32   O. Garcia-Beltran, N. Mena, T. A. Berrios, E. A. Castro, B. K. Cassels, M. T. Nunez and M. E. Aliaga, A selective fluorescent probe for the detection of mercury (II) in aqueous media and its applications in living cells, Tetrahedron Letters, 2012, 53, 6598.

33   O. Garcia-Beltran, N. Mena, L. C. Friedrich, J. C. Netto-Ferreira, V. Vargas, F. H. Quina, M. T. Nunez and B. K. Cassels, Design and synthesis of a new coumarin-based ‘turn-on’ fluorescent probe selective for Cu+2, Tetrahedron Letters, 2012, 53, 5280.

34   O. Garcia-Beltran, J. Soto-Delgado, P. Iturriaga-Vasquez, C. Areche and B. K. Cassels, STRUCTURAL REASSIGNMENT OF EPIERYTHRATIDINE, AN ALKALOID FROM Erythrina fusca, BASED ON NMR STUDIES AND COMPUTATIONAL METHODS, Journal of the Chilean Chemical Society, 2012, 57, 1323.

35   L. Gargallo, A. Leiva, A. Gonzalez, L. Alegria, C. Sandoval and D. Radic, Polymers containing phtalimidoalkyl groups in the side chains. effect of the alkyl groups in monolayers at the air-water interface, E-Polymers, 2012.

36   D. A. Geraldo, N. Arancibia-Miranda, N. A. Villagra, G. C. Mora and R. Arratia-Perez, Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria, Journal of Nanoparticle Research, 2012, 14.

37   M. M. Gillett-Kunnath, A. Munoz-Castro and S. C. Sevov, Tri-metallic deltahedral Zintl ions: experimental and theoretical studies of the novel dimer (Sn6Ge2Bi)(2) (4-), Chemical Communications, 2012, 48, 3524.

38   M. Gonzalez-Suarez, A. Aizman, J. Soto-Delgado and R. Contreras, Bond Fukui Functions As Descriptor of the Electron Density Reorganization in pi Conjugated Systems, Journal of Organic Chemistry, 2012, 77, 90.

39   R. Guajardo Maturana, M. Ponce Vargas and A. Munoz-Castro, Survey Of Long d(10)-d(10) Metallophilic Contacts in Four-Membered Rings of Ag(I) and Au(I) Supported by Carbene-Pyrazole Mixed Ligands, Journal of Physical Chemistry A, 2012, 116, 8737.

40   D. Henao, J. Murillo, P. Ruiz, J. Quijano, B. Mejia, L. Castaneda and R. Notario, A computational study of the thermolysis of beta-hydroxy ketones in gas phase and in m-xylene solution, Journal of Physical Organic Chemistry, 2012, 25, 883.

41   P. Hermosilla-Ibanez, P. E. Car, A. Vega, J. Costamagna, F. Caruso, J.-Y. Pivan, E. Le Fur, E. Spodine and D. Venegas-Yazigi, New structures based on the mixed valence polyoxometalate cluster V12B18O60H6 (n-), Crystengcomm, 2012, 14, 5604.

42   C. F. Lagos, R. Araya-Secchi, P. Thomas, T. Perez-Acle, R. A. Tapia and C. O. Salas, Molecular modeling of Trypanosoma cruzi glutamate cysteine ligase and investigation of its interactions with glutathione, Journal of Molecular Modeling, 2012, 18, 2055.

43   P. Leyton, J. Brunet, V. Silva, C. Paipa, M. Victoria Castillo and S. Antonia Brandan, An experimental and theoretical study of L-tryptophan in an aqueous solution, combining two-layered ONIOM and SCRF calculations, Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2012, 88, 162.

44   P. Leyton, R. Saladino, C. Crestini, M. Campos-Vallette, C. Paipa, A. Berrios, S. Fuentes and R. A. Zarate, Influence of TiO2 on prebiotic thermal synthesis of the Gly-Gln polymer, Amino Acids, 2012, 42, 2079.

45   F. Li, A. Munoz-Castro and S. C. Sevov, Ge9{Si(SiMe3)3}3{SnPh3} : A Tetrasubstituted and Neutral Deltahedral Nine-Atom Cluster, Angewandte Chemie-International Edition, 2012, 51, 8581.

46   C. Linares-Flores, D. Mac-Leod Carey, A. Munoz-Castro, J. H. Zagal, J. Pavez, D. Pino-Riffo and R. Arratia-Perez, Reinterpreting the Role of the Catalyst Formal Potential. The case of Thiocyanate Electrooxidation Catalyzed by CoN4-Macrocyclic Complexes, Journal of Physical Chemistry C, 2012, 116, 7091.

47   B. Lopez-Alvarez, R. A. Torres-Palma, F. Ferraro and G. Penuela, Solar photo-Fenton treatment of carbofuran: Analysis of mineralization, toxicity, and organic by-products, Journal of Environmental Science and Health Part a-Toxic/Hazardous Substances & Environmental Engineering, 2012, 47, 2141.

48   D. MacLeod Carey, C. Adams, A. Munoz-Castro, C. Morales-Verdejo, J. F. Araneda, I. Chavez, J. M. Manriquez, A. Castel, P. Riviere, M. Riviere-Baudet, D. Matioszek, R. Septelean, I. Martinez and R. Arratia-Perez, A new method to radical anions derived from s-Indacene organobimetallic complexes, their ESR characterization, Inorganica Chimica Acta, 2012, 392, 154.

49   E. B. Maturana, K. C. Marin, J. V. Garcia, H. C. Altamirano, M. C. Fritis and L. E. Catalan, SYNTHESIS AND CYTOTOXIC ACTIVITY OF GERANYLMETHOXYHYDROQUINONE DERIVATIVES, Journal of the Chilean Chemical Society, 2012, 57, 1219.

50   A. Mokhtar Lamsabhi, I. Corral, P. Perez, O. Tapia and M. Yanez, Oxygenation of the phenylhalocarbenes. Are they spin-allowed or spin-forbidden reactions?, Journal of Molecular Modeling, 2012, 18, 2813.

51   V. Molina, C. E. Morales, L. Farias, M. Cornejo, M. Graco, Y. Eissler and L. A. Cuevas, Potential contribution of planktonic components to ammonium cycling in the coastal area off central-southern Chile during non-upwelling conditions, Progress in Oceanography, 2012, 92-95, 43.

52   J. P. Monras, V. Diaz, D. Bravo, R. A. Montes, T. G. Chasteen, I. O. Osorio-Roman, C. C. Vasquez and J. M. Perez-Donoso, Enhanced Glutathione Content Allows the In Vivo Synthesis of Fluorescent CdTe Nanoparticles by Escherichia coli, Plos One, 2012, 7.

53   I. Montenegro, A. Madrid Villegas, L. Zaror, R. Martinez, E. Werner, H. Carrasco-Altamirano, M. Cuellar Fritis and H. Palma-Flemming, Antimicrobial activity of ethyl acetate extract and essential oil from bark of Laurelia sempervirens against multiresistant bacteria, Boletin Latinoamericano Y Del Caribe De Plantas Medicinales Y Aromaticas, 2012, 11, 306.

54   A. Munoz-Castro, Magnetic Response Properties of Coinage Metal Macrocyles. Insights into the Induced Magnetic Field through the Analysis of Cu-5(Mes)(5) , Ag-4(Mes)(4) , and Au-5(Mes)(5)) (Mes=2,4,6-Me3C6H2), Journal of Physical Chemistry C, 2012, 116, 17197.

55   Nature of the Excited State of Triangulo Silver N-Heterocyclic Carbenes. Insights from Relativistic DFT Calculations, Journal of Physical Chemistry A, 2012, 116, 520.

56   A. R. Munoz-Castro and D. A. M.-L. Carey, Spherical aromaticity: Insights of their anisotropic behavior in the closo-B12H12 (2-) cluster, Abstracts of Papers of the American Chemical Society, 2012, 243.

57   Magnetic response of macrocyclic arrays: Induced magnetic fields on five- and four-membered close shell cycles, Abstracts of Papers of the American Chemical Society, 2012, 243.

58   J. Murillo, D. Henao, E. Velez, C. Castano, J. Quijano, J. Gaviria and E. Zapata, Thermal decomposition of 4-hydroxy-2-butanone in m-xylene solution: Experimental and computational study, International Journal of Chemical Kinetics, 2012, 44, 407.

59   E. Osorio, J. K. Olson, W. Tiznado and A. I. Boldyrev, Analysis of Why Boron Avoids sp2 Hybridization and Classical Structures in the BnHn+2 Series, Chemistry-a European Journal, 2012, 18, 9677.

60   E. Osorio, A. P. Sergeeva, J. C. Santos and W. Tiznado, Theoretical study of the Si5-n(BH)(n)(2-) and Na(Si5-n(BH)(n))(-) (n=0-5) systems, Physical Chemistry Chemical Physics, 2012, 14, 16326.

61   E. Osorio, V. Villalobos, J. Carlos Santos, K. J. Donald, G. Merino and W. Tiznado, Structure and stability of the Si4Lin (n = 1-7) binary clusters (vol 522, pg 67, 2012), Chemical Physics Letters, 2012, 539, 252.

62   E. Osorio, V. Villalobos, J. C. Santos, K. J. Donald, G. Merino and W. Tiznado, Structure and stability of the Si4Lin (n=1-7) binary clusters, Chemical Physics Letters, 2012, 522, 67.

63   M. Osorio, J. Aravena, A. Vergara, L. Taborga, E. Baeza, K. Catalan, C. Gonzalez, M. Carvajal, H. Carrasco and L. Espinoza, Synthesis and DPPH Radical Scavenging Activity of Prenylated Phenol Derivatives, Molecules, 2012, 17, 556.

64   D. Paez-Hernandez and R. Arratia-Perez, Aromaticity, Optical Properties and Zero Field Splitting of Homo- and Hetero-bimetallic (C8H8)M(mu(2)-,eta(8)=C8H8)M(C8H8) where M = Ti, Zr, Th Complexes, Journal of Physical Chemistry A, 2012, 116, 7584.

65   V. Paredes-Garcia, R. C. Santana, R. Madrid, B. Baldo, A. Vega and E. Spodine, Single crystal electron paramagnetic resonance spectra of Cu-II ions in Cu(tyrosine)(2) A study of weak exchange interactions mediated by resonance assisted hydrogen bonds (RAHB), Journal of Inorganic Biochemistry, 2012, 114, 75.

66   I. Ponce, J. Francisco Silva, R. Onate, M. Caroli Rezende, M. A. Paez, J. H. Zagal, J. Pavez, F. Mendizabal, S. Miranda-Rojas, A. Munoz-Castro and R. Arratia-Perez, Enhancement of the Catalytic Activity of Fe Phthalocyanine for the Reduction of O-2 Anchored to Au(111) via Conjugated Self-Assembled Mono layers of Aromatic Thiols As Compared to Cu Phthalocyanine, Journal of Physical Chemistry C, 2012, 116, 15329.

67   L. Quesada, C. Areche, L. Astudillo, M. Gutierrez, B. Sepulveda and A. San-Martin, Biological Activity of Isoflavonoids from Azorella madreporica, Natural Product Communications, 2012, 7, 1187.

68   M.-C. Ravanal, Y. Espinosa, L. Rosa, I. Vaca, R. Polanco, J. Eyzaguirre, G. Levican and R. Chavez, Glucose-induced production of a Penicillium purpurogenum xylanase by Aspergillus nidulans, Mycoscience, 2012, 53, 152.

69   M. Saldias, V. Paredes-Garcia, A. Vega, W. Canon-Mancisidor, E. Le Fur, D. Venegas-Yazigi and E. Spodine, One dimensional inorganic oxovanadium polymers functionalized with manganese(II) complexes: Structural and magnetic characterization, Polyhedron, 2012, 41, 120.

70   T. E. Sandoval, L. J. Espinoza, I. A. Guerra, A. F. Olea and M. P. Garate, Study of the size and morphology of aggregates formed by pentaethylene glycol monooctyl ether (C8EO5) in n-heptane, Colloids and Surfaces a-Physicochemical and Engineering Aspects, 2012, 398, 17.

71   E. Schott, X. Zarate and R. Arratia-Perez, Substituents Effects on Two Related Families of Dyes for Dye Sensitized Solar Cells: Ru(4,4 ‘-R,R-2,2 ‘-bpy)(3) (2+) and Ru(4,4 ‘-COOH-2,2 ‘-bpy)(4,4 ‘-R,R-2,2 ‘-bpy)(2) (2+), Journal of Physical Chemistry A, 2012, 116, 7436.

72   Electronic structure and molecular properties of paramagnetic hexanuclear Tantalum Ta6X12Y6 (3-) (X and Y = F, Cl, Br, I) cluster compounds, Polyhedron, 2012, 36, 127.

73   E. Spodine, P. Valencia-Galvez, J. Manzur, V. Paredes-Garcia, N. Pizarro, K. Bernot and D. Venegas-Yazigi, Optical properties of composites formed by transition metal macrocyclic complexes intercalated in thiophosphate layered phases, Polyhedron, 2012, 44, 187.

74   D. Venegas-Yazigi, A. Vega, K. Valdes de la Barra, M. Saldias and E. Le Fur, A new hybrid organic-inorganic chain: (phen)Cu-mu-(kappa O-2:O ‘-VP2O10H3)(2)-Cu(phen) (n), Acta Crystallographica Section C-Crystal Structure Communications, 2012, 68, M200.

75   D. J. Wasylenko, R. D. Palmer, E. Schott and C. P. Berlinguette, Interrogation of electrocatalytic water oxidation mediated by a cobalt complex, Chemical Communications, 2012, 48, 2107.

76   D. Yepes, S. R. Kirk, S. Jenkins and A. Restrepo, Structures, energies and bonding in neutral and charged Li microclusters, Journal of Molecular Modeling, 2012, 18, 4171.

77   D. Yepes, J. S. Murray, P. Politzer and P. Jaque, The reaction force constant: an indicator of the synchronicity in double proton transfer reactions, Physical Chemistry Chemical Physics, 2012, 14, 11125.

78   X. Zarate, E. Schott, R. Ramirez-Tagle, D. MacLeod-Carey and R. Arratia-Perez, Photophysical properties of Cu(binap)(2) (+) and Pd(binap)(2) complexes: A theoretical study, Polyhedron, 2012, 37, 54.