Publicaciones ISI 2009

abril 12, 2009 by · Comentarios desactivados
Categoría: Articulos, Eventos, General, Noticias, Referencias, Seminario, Visitas 

La siguiente lista pretende mantener un registro actualizado de las publicaciones ISI 2009 de miembros de nuestro Departamento.  Esta lista incluye actualmente 20 artículos.

1. A Combined Experimental and Theoretical Study of the Polar [3+2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines Bentabed-Ababsa G, Derdour A, Roisnel T, Saez JA, Perez P, Chamorro E, Domingo LR, Mongin F.JOURNAL OF ORGANIC CHEMISTRY   Volume: 74   Issue: 5   Pages: 2120-2133   Published: MAR 6 2009


2. A comparison between theoretical and experimental models of electrophilicity and nucleophilicity Chamorro E, Duque-Norena M, Perez P JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM   Volume: 896   Issue: 1-3   Pages: 73-79   Published: FEB 28 2009.


3. A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions Perez P, Domingo LR, Duque-Norena M, Chamorro E. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM   Volume: 895   Issue: 1-3   Pages: 86-91   Published: FEB 15 2009


4. Solvent Effects on Global Reactivity Properties for Neutral and Charged Systems Using the Sequential Monte Carlo Quantum Mechanics Model Jaramillo P, Perez P, Fuentealba P, Canuto S, Coutinho K. JOURNAL OF PHYSICAL CHEMISTRY B   Volume: 113   Issue: 13   Pages: 4314-4322   Published: APR 2 2009


5. The Mechanism of Double Proton Transfer in Dimers of Uracil and 2-Thiouracil-The Reaction Force Perspective Lamsabhi AM, Mo O, Gutierrez-Oliva S, Perez P, Toro-Labbe A, Yanez M. JOURNAL OF COMPUTATIONAL CHEMISTRY   Volume: 30   Issue: 3   Pages: 389-398   Published: FEB 2009


6. Spin-Orbit Effects on the Aromaticity of the Re3X92- (X = Cl, Br) Cluster Ions Alvarado-Soto L, Ramirez-Tagle R, Arratia-Perez R JOURNAL OF PHYSICAL CHEMISTRY A   Volume: 113   Issue: 9   Pages: 1671-1673   Published: MAR 5 2009


7.  8,8-Diethyl-1,4,5,8-tetrahydronaphthalene-1,4,5-trione Vega A, Ramirez-Rodriguez O, Martinez-Cifuentes M, Ibanez A, Araya-Maturana R. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE   Volume: 65   Pages: O345-U2358  Part: Part 2   Published: FEB 2009


8. Structural Antitumoral Activity Relationships of Synthetic Chalcones Echeverria C, Santibanez JF, Donoso-Tauda O, Escobar CA, Ramirez-Tagle R INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES   Volume: 10   Issue: 1   Pages: 221-231   Published: JAN 2009


9. Substituent effects in the mechanism of mono-substituted acetylene trimerization: A topological analysis of the electron localization function Donoso-Tauda O, Aizman A, Escobar CA, Santos JC CHEMICAL PHYSICS LETTERS   Volume: 469   Issue: 1-3   Pages: 219-223   Published: FEB 3 2009


10. Synthesis of 1,5-Benzodiazepines with Unusual Substitution Pattern from Chalcones Under Solvent-Free Microwave Irradiation Conditions Escobar CA, Donoso-Tauda O, Araya-Maturana R, Sicker D. SYNTHETIC COMMUNICATIONS   Volume: 39   Issue: 1   Pages: 166-174   Published: 2009


11. Heterobimetallic Re-Pd, Re-Au and Re-Cu complexes derived from diphenylphosphino cyrhetrene: Synthesis and X-ray structure Sierra D, Munoz A, Godoy F, Klahn AH, Ibanez A. Garland MT, Fuentealba M. POLYHEDRON   Volume: 28   Issue: 2   Pages: 322-326   Published: FEB 3 2009

12. Crystal Structure and Magnetic Properties of a New Chiral Manganese(II)
Three-Dimensional Framework: Na3[Mn3(HCOO)9]
Paredes-García V., Vega A., Novak M. A., Vaz M.G.F., Souza D. A., Venegas-Yazigi D., Spodine E.,  Inorganic Chemistry, Article ASAP. DOI:10.1021/ic8019292



13. Electronic structure and molecular properties of the mixed Rhenium Molybdenum [Re6-xMoxS8(CN)6]q-, (x = 0 to 6) clusters R. Ramirez-Tagle and R. Arratia-Pérez J.Clust. Sci., 20, 159-164 (2009)

14.  Electronic Structure and Molecular Properties of Binuclear Group VII Pentalene Metal Carbonyl Complexes [C8H6{M(CO3)}2] (M=Mn, Tc, Re, Bh): A Relativistic Density Functional Theory Study A. Muñoz-Castro, D. Mac-Leod-Carey, R. Arratia-Pérez Polyhedron, 28, 1561-1567 (2009)

15. Comments on “Ground state of octahedral platinum hexafluoride L. Alvarez-Thon, R. Arratia-Pérez, K. Seppelt Phys. Rev. A, 79, 056502-056503 (2009)

16. Electronic Structure, molecular properties and Electronic currents of the luminescent [Au3(CH3N=COCH3)3] cluster A. Muñoz-Castro, D. Mac-Leod-Carey, R. Arratia-Pérez Chem. Phys. Lett., 474, 290-293 (2009)

17. Chromium(III) complexes with terdentate 2,6-bis(azolylmethyl)pyridine ligands: synthesis, structures and catalytic behavior J. Hurtado, D. Mac-Leod-Carey, A. Muñoz-Castro, R. Arratia-Perez, R. Quijada, Guang Wu, R. Rojas, M. Valderrama J. Organomet. Chem., 694, 2636-2641 (2009)

18. Pyridine as axial ligand on the [Mo6Cl8]4+ core switches off luminescence R. Ramirez-Tagle, R. Arratia-Pérez Chem. Phys. Lett. , 475, 232-234 (2009).

19. On the nucleophilicity of boryllithium compounds. A theoretical study. Jaramillo Paula, Pérez Patricia, Fuentealba Patricio, The Journal of Physical Chemistry A. 113 (24) 6812-6817 (2009).

20. An analysis of the regioselectivity on 1,3-dipolar cycloadditios of benzonitrile N-oxides based on global and local electrophilicity and nucleophilicity indices L. R. Domingo, E. Chamorro and P. Pérez Eur. J. Org. Chem. 2009, 3036-3044 (2009).

Publicaciones ISI 2008 de Académicos del Departamento

21 artículos ISI fueron publicados por académicos de nuestro Departamento (con filiación UNAB) durante 2008. La lista incluye revistas como The Journal of Chemical Physics, Journal of Organic Chemistry, Journal of Physical Chemistry A, Chemical Physics Letters, Dalton Transactions, Physical Review A., Journal of Photochemistry and Photobiology, Journal of Molecular Structure-Theochem, y Acta Crystallographica.  A continuación la referencia completa de dichos trabajos:

1. Universal mathematical identities in density functional theory: Results from three different spin-resolved representations Perez P, Chamorro E, Ayers PW JOURNAL OF CHEMICAL PHYSICS   Volume: 128   Issue: 20 Article Number: 204108   Published: MAY 28 2008

2. Dual descriptors within the framework of spin-polarized density functional theory Chamorro E, Perez P, Duque M, De Proft, F. Geerlings P. JOURNAL OF CHEMICAL PHYSICS   Volume: 129   Issue: 6 Article Number: 064117   Published: AUG 14 2008

3. Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions. A theoretical study Domingo LR, Chamorro E, Perez P JOURNAL OF ORGANIC CHEMISTRY   Volume: 73   Issue: 12   Pages: 4615-4624   Published: JUN 20 2008

4. An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar Diels-Alder reactions. A density functional theory study. Domingo LR, Chamorro E, Perez P JOURNAL OF PHYSICAL CHEMISTRY A   Volume: 112   Issue: 17   Pages: 4046-4053   Published: MAY 1 2008

5. A further exploration of a nucleophilicity index based on the gas-phase ionization potentials Jaramillo P, Domingo LR, Chamorro E, Perez P. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM   Volume: 865   Issue: 1-3   Pages: 68-72   Published: SEP 30 2008

6.  Theoretical study of the surface reactivity of alkaline earth oxides: Local density of states evaluation of the local softness Cardenas C, De Proft F, Chamorro E, Fuentealba P., Geerlings P. JOURNAL OF CHEMICAL PHYSICS   Volume: 128   Issue: 3 Article Number: 034708   Published: JAN 21 2008

7. Spin-orbit effects on the aromaticity of the Re3Cl9 and Re3Br9 clusters. Alvarado-Soto L, Ramirez-Tagle R, Arratia-Perez R CHEMICAL PHYSICS LETTERS   Volume: 467   Issue: 1-3   Pages: 94-96   Published: 2008

8. Cluster carbonyls of the [Re-6(mu(3)-Se)(8)](2+) core: synthesis, structural characterization, and computational analysis. Orto PJ, Nichol GS, Okumura N, Evans DH, Arratia-Perez R, Ramirez-Tagle R, Wang RY, Zheng ZP DALTON TRANSACTIONS   Issue: 32   Pages: 4247-4253   Published: 2008

9. Electronic structure and molecular properties of the [Mo6X8L6](2-); X = Cl, Br, I; L = F, Cl, Br, I clusters Ramirez-Tagle R, Arratia-Perez R CHEMICAL PHYSICS LETTERS   Volume: 460   Issue: 4-6   Pages: 438-441   Published: JUL 30 2008

10. Ground state of octahedral platinum hexafluoride Alvarez-Thon L, David J, Arratia-Perez R, Seppelt K. PHYSICAL REVIEW A   Volume: 77   Issue: 3 Article Number: 034502   Published: MAR 2008

11. The luminescent [Mo6X8(NCS)(6)](2-) ( X = Cl, Br, I) clusters?: A computational study based on time-dependent density functional theory including spin-orbit and solvent-polarity effects Ramirez-Tagle R, Arratia-Perez R CHEMICAL PHYSICS LETTERS   Volume: 455   Issue: 1-3   Pages: 38-41   Published: MAR 31 2008

12. (E)-3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one. Escobar CA, Vega A, Sicker D, Ibanez A. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE   Volume: 64   Pages: O1834-U2622   Part: Part 9   Published: SEP 2008

13. Five bicyclo[3.3.0]octa-2,6-dienes Vega A, Donoso-Tauda O, Ibanez A, EScobar CA ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS   Volume: 64   Pages: O199-O204   Part: Part 4   Published: APR 2008

14.  9,10-dihydroxy-4,4-dimethyl-5,8-dihydroanthracen-1(4H)-one Ramirez-Rodriguez O, Martinez-Cifuentes M, Ibanez A, Vega A, Araya-Maturana R. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE   Volume: 64   Pages: O1316-U2373   Part: Part 7   Published: JUL 2008

15.  2-(2-pyridylamino)pyridinium tetrachloridozincate(II) Venegas-Yazigi D, Castillo C, Paredes-Garcia V, Vega A, Spondine E. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE   Volume: 64   Pages: M777-U422  Part: Part 6   Published: JUN 2008

16. Local structure and time-resolved photoluminescence of emulsion prepared YAG nanoparticles Furman JD, Gundiah G, Page K, Pizarro N, Cheethan AK CHEMICAL PHYSICS LETTERS   Volume: 465   Issue: 1-3   Pages: 67-72   Published: NOV 3 2008

17.  Photosensitized generation of singlet molecular oxygen by aryloxazinones Lemp E, Canete A, Gunther G, Pizarro N, Zanocco AL. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY   Volume: 199   Issue: 2-3   Pages: 345-352   Published: SEP 25 2008

18. Dynamics and Orientation of Parathion Dissolved in a Discotic Nematic Lyomesophase Vera A, Ahumada H, Bahamonde V, Montecinos R, Ararya-Maturana R, Munoz D, Weiss-Lopez BE. AUSTRALIAN JOURNAL OF CHEMISTRY   Volume: 61   Issue: 12   Pages: 968-974   Published: 2008

19.  Self-assembly of triblock copolymers in aqueous solution Urbano B, Silva P, Olea AF, Fuentes I, Martinez F. JOURNAL OF THE CHILEAN CHEMICAL SOCIETY   Volume: 53   Issue: 2   Pages: 1507-1510   Published: JUN 2008

20.  Phenolics, depsides and triterpenes from the Chilean lichen Pseudocyphellaria nudata (Zahlbr.) D.J. Galloway Cuellar M, Quilhot W, Rubio C, Soto C., Espinoza L, Carrasco H. JOURNAL OF THE CHILEAN CHEMICAL SOCIETY   Volume: 53   Issue: 3   Pages: 1624-1625 Published: SEP 2008

21.  Eugenol and its synthetic analogues inhibit cell growth of human cancer ells (part I) Carrasco H, Espinoza L, Cardile V, Gallardo C, Cardona W, Lombardo L., Catalan K. Cuellar M. Russo A. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY   Volume: 19   Issue: 3   Pages: 543-548 Published: 2008

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