Publicaciones ISI DCQ-2013


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ADDRESS: (Univ Andres Bello) AND YEAR PUBLISHED: (2013) AND ADDRESS: ((Dept Ciencias Quim) OR (Dept Quim))


1   N. Y. Acelas, D. Lopez, F. Mondragon, W. Tiznado and E. Florez, Topological analysis of tetraphosphorus oxides (P4O6+n (n=0-4)), Journal of Molecular Modeling, 2013, 19, 2057.


3   D. R. Alcoba, L. Lain, A. Torre, O. B. Ona and E. Chamorro, Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theory, Physical Chemistry Chemical Physics, 2013, 15, 9594.

4   I. Almodovar, W. Cardona, T. Delgado-Castro, G. Zapata-Torres, M. Caroli Rezende, R. Araya-Maturana, M. Carmen Maestro and J. L. Garcia Ruano, Remote regio- and stereocontrol by the sulfinyl group: Diels-Alder reaction of sulfinyl dienols and 8,8-dimethylnaphthalene-1,4,5(8H)-trione, Tetrahedron-Asymmetry, 2013, 24, 56.

5   L. Amador-Falcon, D. Rodriguez-Clavijo, R. Baldiris-Avila, V. Valdiris-Avila, G. Salgado-Moran, D. Glossman-Mitnik and R. Vivas-Reyes, Virtual Screening: Using Molecular Docking and 3D-QSAR Analysis of Matrix Metalloproteinase Inhibitors, Journal of the Chinese Chemical Society, 2013, 60, 1212.

6   C. Areche, F. Rojas-Alvarez, C. Campos-Briones, C. Lima, E. G. Perez and B. Sepulveda, Further mulinane diterpenoids from Azorella compacta, Journal of Pharmacy and Pharmacology, 2013, 65, 1231.

7   B. Baldo, C. Cruz, D. Venegas-Yazigi, A. Vega and V. Paredes-Garcia, catena-Poly tris(3-acetylacetonato)nickelate(II)sodium(I), Acta Crystallographica Section C-Crystal Structure Communications, 2013, 69, 506.

8   G. Barriga-Gonzalez, B. Aguilera-Venegas, C. Folch-Cano, F. Perez-Cruz and C. Olea-Azar, Electron Spin Resonance as a Powerful Tool for Studying Antioxidants and Radicals, Current Medicinal Chemistry, 2013, 20, 4731.

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 (vol 57, pg 1313, 2012), Journal of the Chilean Chemical Society, 2013, 58, 1797.

10   P. Cancino, E. Spodine, V. Paredes-Garcia, D. Venegas-Yazigi and A. Vega, The layered structure of poly hexaaqua(4-benzene-1,2,4,5-tetracarboxylato)dicopper(II) tetrahydrate, Acta Crystallographica Section C-Crystal Structure Communications, 2013, 69, 1344.

11   W. Canon-Mancisidor, E. Spodine, V. Paredes-Garcia and D. Venegas-Yazigi, Theoretical description of the magnetic properties of mu(3)-hydroxo bridged trinuclear copper(II) complexes, Journal of Molecular Modeling, 2013, 19, 2835.

12   E. Chamorro, M. Duque-Norena, R. Notario and P. Perez, Intrinsic Relative Scales of Electrophilicity and Nucleophilicity, Journal of Physical Chemistry A, 2013, 117, 2636.

13   E. Chamorro, P. Perez and L. R. Domingo, On the nature of Parr functions to predict the most reactive sites along organic polar reactions, Chemical Physics Letters, 2013, 582, 141.

14   M. Contreras, E. Osorio, F. Ferraro, G. Puga, K. J. Donald, J. G. Harrison, G. Merino and W. Tiznado, Isomerization Energy Decomposition Analysis for Highly Ionic Systems: Case Study of Starlike E5Li7+ Clusters, Chemistry-a European Journal, 2013, 19, 2305.

15   M. Cuellar Fritis, C. Rubio Lagos, N. Quinones Sobarzo, I. Montenegro Venegas, C. Salas Sanchez, H. Carrasco Altamirano, L. Espinoza Catalan and W. Quilhot Palma, Depsides and triterpenes in Pseudocyphellaria coriifolia (lichens) and biological activity against Trypanosoma cruzi, Natural Product Research, 2013, 27, 1607.

16   M. Curitol, X. Ragas, S. Nonell, N. Pizarro, M. V. Encinas, P. Rojas, R. P. Zanocco, E. Lemp, G. Guenther and A. L. Zanocco, Solvent and Media Effects on the Photophysics of Naphthoxazole Derivatives, Photochemistry and Photobiology, 2013, 89, 1327.

17   C. Diaz Valenzuela, G. A. Carriedo, M. L. Valenzuela, L. Zuniga and C. O’Dwyer, Solid State Pathways to Complex Shape Evolution and Tunable Porosity during Metallic Crystal Growth, Scientific Reports, 2013, 3.

18   C. Diaz Valenzuela, M. L. Valenzuela, S. Caceres, R. Diaz and C. O’Dwyer, Solvent and stabilizer free growth of Ag and Pd nanoparticles using metallic salts/cyclotriphosphazenes mixtures, Materials Chemistry and Physics, 2013, 143, 124.

19   C. Diaz Valenzuela, M. L. Valenzuela, S. Caceres and C. O’Dwyer, Solution and surfactant-free growth of supported high index facet SERS active nanoparticles of rhenium by phase demixing, Journal of Materials Chemistry A, 2013, 1, 1566.

20   L. R. Domingo and P. Perez, Global and local reactivity indices for electrophilic/nucleophilic free radicals, Organic & Biomolecular Chemistry, 2013, 11, 4350.

21   L. R. Domingo, P. Perez and D. E. Ortega, Why Do Five-Membered Heterocyclic Compounds Sometimes Not Participate in Polar Diels-Alder Reactions?, Journal of Organic Chemistry, 2013, 78, 2462.

22   L. R. Domingo, P. Perez and J. A. Saez, Understanding the regioselectivity in hetero Diels-Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine, Tetrahedron, 2013, 69, 107.

23   Understanding C-C bond formation in polar reactions. An ELF analysis of the Friedel-Crafts reaction between indoles and nitroolefins, Rsc Advances, 2013, 3, 7520.

24   Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions, Rsc Advances, 2013, 3, 1486.

25   C. A. Escobar, O. A. Alvarado, J. A. K. Howard and M. Fuentealba, Synthesis of N-Acylated 1,5-Benzodiazepines: Differentiation between Two Possible Acylation Sites via Hydrogen Bonding, Zeitschrift Fur Naturforschung Section B-a Journal of Chemical Sciences, 2013, 68, 397.

26   F. Ferraro, D. Paez-Hernandez, J. A. Murillo-Lopez, A. Munoz-Castro and R. Arratia-Perez, Antenna Effect by Organometallic Chromophores in Bimetallic d-f Complexes, Journal of Physical Chemistry A, 2013, 117, 7847.

27   O. Garcia-Beltran, N. Mena, O. Yanez, J. Caballero, V. Vargas, M. T. Nunez and B. K. Cassels, Design, synthesis and cellular dynamics studies in membranes of a new coumarin-based «turn-off» fluorescent probe selective for Fe2+, European Journal of Medicinal Chemistry, 2013, 67, 60.

28   J. L. Gautier, J. P. Monras, I. O. Osorio-Roman, C. C. Vasquez, D. Bravo, T. Herranz, J. F. Marco and J. M. Perez-Donoso, Surface characterization of GSH-CdTe quantum dots, Materials Chemistry and Physics, 2013, 140, 113.

29   J. Ignacio Martinez-Araya, G. Salgado-Moran and D. Glossman-Mitnik, Computational Nanochemistry Report on the Oxicams-Conceptual DFT Indices and Chemical Reactivity, Journal of Physical Chemistry B, 2013, 117, 6339.

30   G. A. Jana and E. J. Delgado, Electron density reactivity indexes of the tautomeric/ionization forms of thiamin diphosphate, Journal of Molecular Modeling, 2013, 19, 3799.

31   O. Jara and A. Aranguiz-Acuna, Effects of indirect toxicity of interacting Cd-Zn in a planktonic marine system, Aquatic Biology, 2013, 19, 19.

32   F. Javier Recio, D. Andrea Geraldo, P. Canete and J. Heraclito Zagal, Matching the Catalyst Co(II)/(I) Formal Potential of a Macrocyclic Complex to the Reversible Potential of Hydrazine Oxidation for the Highest Activity, Ecs Electrochemistry Letters, 2013, 2, H16.

33   F. Javier Recio, P. Canete, F. Tasca, C. Linares-Flores and J. Heraclito Zagal, Tuning the Fe(II)/(I) formal potential of the FeN4 catalysts adsorbed on graphite electrodes to the reversible potential of the reaction for maximum activity: Hydrazine oxidation, Electrochemistry Communications, 2013, 30, 34.

34   P. Leyton, C. Paipa, A. Berrios, A. Zarate, M. Victoria Castillo and S. Antonia Brandan, Structural study and characterization of the dipeptide 2- 5-amino-5-oxo-2-(phenylmethoxycarbonylamino) pentanoyl amino acetic acid by vibrational spectroscopy and DFT calculations, Journal of Molecular Structure, 2013, 1031, 110.

35   J. Manzur, H. Mora, V. Paredes-Garcia, A. Vega and M. A. Novak, Effect of the counter-anion on the structural and magnetic properties of a copper(II) complex with 2- (bis(2-pyridylmethyl)amino)methyl -4-methyl-6-(methylthio)phenol, Polyhedron, 2013, 51, 180.

36   F. Miranda-Barrientos, A. Munoz-Castro, R. Arratia-Perez and D. Macleod Carey, THEORETICAL CALCULATIONS OF AN OSMIUM MOLECULAR SWITCH, Journal of the Chilean Chemical Society, 2013, 58, 2110.

37   A. Morales-Bayuelo, Understanding the electronic reorganization in the thermal isomerization reaction of trans-3,4-dimethylcyclobutene. Origins of outward Pseudodiradical {2n+2} torquoselectivity, International Journal of Quantum Chemistry, 2013, 113, 1534.

38   C. Morales-Verdejo, I. Martinez, D. Mac-Leod Carey, I. Chavez, J. Manuel Manriquez, D. Matioszek, N. Saffon, A. Castel, P. Riviere and E. Molins, Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer, Inorganica Chimica Acta, 2013, 394, 752.

39 C. Morales-Verdejo, L. Oehninger, I. Martinez-Diaz, D. Mac-Leod Carey, R. Arratia-Perez, I. Chavez and J. Manuel Manriquez, A new heterobimetallic manganese-rhodium carbonyl complex derived from partially alkylated s-indacene, Inorganica Chimica Acta, 2013, 394, 132.

40   A. Munoz-Castro, Golden Endohedral Main-Group Clusters, E@Au-12 (q-): Theoretical Insights Into the 20-e Principle, Journal of Physical Chemistry Letters, 2013, 4, 3363.

41   On the magnetic behavior of spherical aromatic compounds. Insights from the closo- B12H12 (2-) cluster through chemical shift tensor maps, Chemical Physics Letters, 2013, 555, 282.

42   A. Munoz-Castro and S. C. Sevov, Trimetallic deltahedral Zintl ions Sn9-m-nGemBin ((4-n)-) for n=1-4 and m=0-(9-n): a theoretical survey with prediction and rationalization of the possible structures, Physical Chemistry Chemical Physics, 2013, 15, 986.

43   L. Oehninger, J. Felipe Araneda, C. Morales-Verdejo, A. Munoz-Castro, D. Mac-Leod Carey, C. Adams, R. Arratia-Perez, R. Rojas, J. Manuel Manriquez and I. Chavez, Novel titanocene derived from a partially alkylated s-indacene: Synthesis, characterization and comparative study with its zirconium analog, Inorganica Chimica Acta, 2013, 396, 35.

44   C. Olea Ulloa, M. Ponce Vargas, R. Guajardo Maturana and A. Munoz-Castro, Theoretical study of the binding strength and magnetical response properties involved in the formation of the pi-donor/pi-acceptor TTF-CBPQT (4+) host-guest system, Polyhedron, 2013, 54, 119.

45   O. B. Ona, D. R. Alcoba, W. Tiznado, A. Torre and L. Lain, An orbital localization criterion based on the topological analysis of the electron localization function, International Journal of Quantum Chemistry, 2013, 113, 1401.

46   O. B. Ona, D. R. Alcoba, A. Torre, L. Lain, J. J. Torres-Vega and W. Tiznado, Orbital Localization Criterion as a Complementary Tool in the Bonding Analysis by Means of Electron Localization Function: Study of the Si-n(BH)(5-n)(2-) (n=0-5) Clusters, Journal of Physical Chemistry A, 2013, 117, 12953.

47  E. Osorio, E. G. Perez, C. Areche, L. Maria Ruiz, B. K. Cassels, E. Florez and W. Tiznado, Why is quercetin a better antioxidant than taxifolin? Theoretical study of mechanisms involving activated forms, Journal of Molecular Modeling, 2013, 19, 2165.

48  E. Osorio, A. Vasquez, E. Florez, F. Mondragon, K. J. Donald and W. Tiznado, Theoretical design of stable small aluminium-magnesium binary clusters, Physical Chemistry Chemical Physics, 2013, 15, 2222.

49   V. Paredes-Garcia, I. Rojas, R. Madrid, A. Vega, E. Navarro-Moratalla, W. Canon-Mancisidor, E. Spodine and D. Venegas-Yazigi, Structural and magnetic characterization of the tridimensional network Fe(HCO2)(3) (n)center dot nHCO(2)H+, New Journal of Chemistry, 2013, 37, 2120.

50   V. Paredes-Garcia, R. C. Santana, R. Madrid, A. Vega, E. Spodine and D. Venegas-Yazigi, Unusual Conformation of a Dinuclear Paddle Wheel Copper(II) Complex. Synthesis, Structural Characterization and EPR Studies, Inorganic Chemistry, 2013, 52, 8369.

51   V. Paredes-Garcia, N. Toledo, J. Denardin, D. Venegas-Yazigi, C. Cruz, E. Spodine and Z. Luo, ONE POT SOLVOTHERMAL SYNTHESIS OF ORGANIC ACID COATED MAGNETIC IRON OXIDE NANOPARTICLES, Journal of the Chilean Chemical Society, 2013, 58, 2011.

52   G. d. C. Pizarro, M. Jeria-Orell, O. G. Marambio, A. F. Olea, D. T. Valdes and K. E. Geckeler, Synthesis of functional poly(styrene)-block-(methyl methacrylate/methacrylic acid) by homogeneous reverse atom transfer radical polymerization: Spherical nanoparticles, thermal behavior, self-aggregation, and morphological properties, Journal of Applied Polymer Science, 2013, 129, 2076.

53   P. Politzer, J. S. Murray and P. Jaque, Perspectives on the reaction force constant, Journal of Molecular Modeling, 2013, 19, 4111.

54   A. Reyes, P. Andrea Cuervo, F. Orozco, R. Abonia, M. Duque-Norena, P. Perez and E. Chamorro, Theoretical investigation of the selectivity in intramolecular cyclizations of some 2’aEuro»aminochalcones to dihydroquinolin-8-ones and indolin-3-ones, Journal of Molecular Modeling, 2013, 19, 3611.

55   E. Rincon, F. Zuloaga and E. Chamorro, Global and local chemical reactivities of mutagen X and simple derivatives, Journal of Molecular Modeling, 2013, 19, 2573.

56   G. Salgado-Moran, R. Ramirez-Tagle, D. Glossman-Mitnik, S. Ruiz-Nieto, P. Kishore-Deb, M. Bunster and F. Lobos-Gonzalez, Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis, Journal of Chemistry, 2013.

57   G. Salgado-Moran, S. Ruiz-Nieto, L. Gerli-Candia, N. Flores-Holguin, A. Favila-Perez and D. Glossman-Mitnik, Computational nanochemistry study of the molecular structure and properties of ethambutol, Journal of Molecular Modeling, 2013, 19, 3507.

58   V. D. Samith, G. Mino, E. Ramos-Moore and N. Arancibia-Miranda, Effects of pluronic F68 micellization on the viability of neuronal cells in culture, Journal of Applied Polymer Science, 2013, 130, 2159.

59   E. Schott, X. Zarate and R. Arratia-Perez, Molecular properties of two related families of substituted Ru(2,2 ‘:6 ‘,2 »-Terpyridine)(2) (2+) for application as sensitizers in dye-sensitized solar cells, Dyes and Pigments, 2013, 97, 455.

60   E. Schott, X. Zarate, D. MacLeod-Carey, R. Arratia-Perez and C. Bustos, Substituents effect on the electronic structure and molecular properties of bis organohydrazido(2-) molybdenum(VI) complexes, Polyhedron, 2013, 61, 27.

61   B. Sepulveda, M. Cristina Chamy, M. Piovano and C. Areche, LICHENS: MIGHT BE CONSIDERED AS A SOURCE OF GASTROPROTECTIVE MOLECULES?, Journal of the Chilean Chemical Society, 2013, 58, 1750.

62   C. Silva-Galaz, M. Saldias, E. Freire, R. Baggio, E. Le Fur, V. Paredes-Garcia, E. Spodine and D. Venegas-Yazigi, Catena-(bis((1,10-phenanthroline-N,N ‘)-copper(II)) hydroxy-bis (phosphato)-tris(dioxo-vanadium(v))): A polymorphic phase driven by disorder, Journal of Molecular Structure, 2013, 1051, 205.

63   C. Silva-Galaz, M. Saldias, M. T. Garland, A. Vega, V. Paredes-Garcia, E. Spodine and D. Venegas-Yazigi, K-3 Fe3.26V0.74(OH)O(PO4)(4)(H2O)(2) center dot 2H(2)O: a synthetic leucophosphite, Journal of Coordination Chemistry, 2013, 66, 1830.

64   L. Taborga, A. Vergara, M. Jose Fernandez, M. Osorio, M. Carvajal, A. Madrid, F. Marilaf, H. Carrasco and L. Espinoza Catalan, SYNTHESIS AND NMR STRUCTURE DETERMINATION OF NEW LINEAR GERANYLPHENOLS BY DIRECT GERANYLATION OF ACTIVATED PHENOLS, Journal of the Chilean Chemical Society, 2013, 58, 1790.

65   J. J. Torres, R. Islas, E. Osorio, J. G. Harrison, W. Tiznado and G. Merino, Is Al2Cl6 Aromatic? Cautions in Superficial NICS Interpretation, Journal of Physical Chemistry A, 2013, 117, 5529.

66   A. Vegas, R. Notario, E. Chamorro, P. Perez and J. F. Liebman, Isoelectronic and isolobal O, CH2, CH3+ and BH3 as electron pairs; similarities between molecular and solid-state chemistry, Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials, 2013, 69, 163.

67   D. Venegas-Yazigi, K. Munoz, M. Saldias, K. Valdes de la Barra, A. Vega, V. Paredes-Garcia, C. J. Gomez-Garcia, E. Le Fur, W. Canon-Mancisidor and E. Spodine, Magnetic properties of vanadium(IV)-based extended systems: (VO)(3)(mu-PO4)(2)(2,2 ‘-bpy)(mu-OH2) center dot 1/3H(2)O and (VO)(2)H4P2O9, Inorganica Chimica Acta, 2013, 395, 176.

68   D. Yepes, O. Donoso-Tauda, P. Perez, J. S. Murray, P. Politzer and P. Jaque, The reaction force constant as an indicator of synchronicity/nonsynchronicity in 4+2 cycloaddition processes, Physical Chemistry Chemical Physics, 2013, 15, 7311.

69   D. Yepes, J. S. Murray, J. C. Santos, A. Toro-Labbe, P. Politzer and P. Jaque, Fine structure in the transition region: reaction force analyses of water-assisted proton transfers, Journal of Molecular Modeling, 2013, 19, 2689.

70   J. H. Zagal, D. A. Geraldo, M. Sancy and M. A. Paez, Unusual behaviour of perfluorinated cobalt phthalocyanine compared to unsubstituted cobalt phthalocyanine for the electrocatalytic oxidation of hydrazine. Effect of the surface concentration of the catalyst on a graphite surface, Journal of the Serbian Chemical Society, 2013, 78, 2039.

71   X. Zarate, E. Schott, L. Alvarado-Soto and T. C. Sutherland, A molecular study of tetrakis(p-methoxyphenyl)porphyrin and its Zn(II) complex as discotic liquid crystals, International Journal of Quantum Chemistry, 2013, 113, 2287.

72   X. Zarate, E. Schott and R. Arratia-Perez, Effects of the peripheral substituents (-NH2, -OH, -CH3, -H, -C6H5, -Cl, -CO2H and -NO2) on molecular properties of a Ni-Porphyrazine dimers family, Polyhedron, 2013, 50, 131.

73   X. Zarate, E. Schott, T. Gomez and R. Arratia-Perez, Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine-Phthalocyanine Complexes, Journal of Physical Chemistry A, 2013, 117, 430.