Student Recent Publications

2013

Theoretical study of the binding strength and magnetical response properties involved in the formation of the π-donor/π-acceptor [TTF–CBPQT]4+ host–guest system
Carolina Olea Ulloa, Miguel Ponce Vargas, Raul Guajardo Maturana, Alvaro Muñoz-Castro
Polyhedron, 2013, 54, 119-122
DOI:10.1016/j.poly.2013.02.022

2012

Bonding, energetic, electronic delocalization and optical properties of MCp3 complexes, where M = Sc, Y, La, Ac, Lu, Ce, Yb and Th
Franklin Ferraro and Ramiro Arratia-Perez
Chem. Phys. Lett. 2012, 554, 219-224
DOI:10.1016/j.cplett.2012.10.020
Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO2 Solar Cells
M. Belén Oviedo, Ximena Zarate, Christian F. A. Negre, Eduardo Schott, Ramiro Arratia-Pérez, and Cristián G. Sánchez
J. Phys. Chem. Lett. 2012, 3, 2548-2555
DOI:10.1021/jz300880d
Survey Of Long d10–d10 Metallophilic Contacts in Four-Membered Rings of Ag(I) and Au(I) Supported by Carbene–Pyrazole Mixed Ligands
Raul Guajardo Maturana, Miguel Ponce Vargas, and Alvaro Muñoz-Castro
J. Phys. Chem. A 2012, 116, 8737-8743
DOI:10.1021/jp304928k
A TD-DFT basis set and density functional assessment for the calculation of electronic excitation energies of fluorene
Cristina Aparecida Barboza, Pedro Antonio Muniz Vazquez, Desmond Mac-Leod Carey, and Ramiro Arratia-Perez
International Journal of Quantum Chemistry 2012, 112, 3434–3438
DOI:10.1002/qua.24300
Ceria(100) Nanotubes with Negative Strain Energy: A First-Principles Prediction
José J. Plata, Igor Ruiz-Tagle, Antonio M. Márquez, and Javier Fdez. Sanz
J. Phys. Chem. Lett. 2012, 3, 2092-2096
DOI:10.1021/jz300731n
The aromaticity of the [Re3(μ-X)3X9]3− clusters, X = Cl, Br, I
Leonor Alvarado-Soto, Eduardo Schott, Ximena Zarate, Ramiro Arratia-Pérez, Rodrigo Ramirez-Tagle
Chemical Physics Letters 2012, 545, 50–53
DOI:10.1016/j.cplett.2012.07.033
(E)-2-{[(2-Aminopyridin-3-yl)imino]methyl}-4,6-di-tert-butylphenol
A. Carreño, S. Ladeira, A. Castel, A. Vega and I. Chavez
Acta Cryst. 2012, E68, o2507-o2508
DOI:10.1107/S1600536812032060
Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives
Cristina A. Barboza, Ezequiel Barboza, Ramiro Arratia-Perez, Desmond MacLeod Carey
Chemical Physics Letters 2012, 545, 88-94
DOI:10.1016/j.cplett.2012.07.031
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+
Eduardo Schott, Ximena Zarate, and Ramiro Arratia-Perez
J. Phys. Chem. A, 2012, 116 (27), 7436-7442
DOI:10.1021/jp303497h
Theoretical study of 3,3′ substitution of 9,9,9′,9′-tetramethyl-fluorene-dimers
Cristina A. Barboza, Ramiro Arratia-Pérez, Desmond MacLeod Carey
Chemical Physics Letters 2012, 538, 67-71
DOI:10.1016/j.cplett.2012.03.075
Reinterpreting the Role of the Catalyst Formal Potential. The case of Thiocyanate Electrooxidation Catalyzed by CoN4-Macrocyclic Complexes
C. Linares-Flores, D. Mac-Leod Carey, A. Muñoz-Castro, J. H. Zagal, J. Pavez, D. Pino-Riffo, and R. Arratia-Pérez
J. Phys. Chem. C, 2012, 116 (12), 7091-7098
DOI:10.1021/jp300764n
Electronic structure and molecular properties of paramagnetic hexanuclear Tantalum [Ta6X12Y6]3− (X and Y = F, Cl, Br, I) cluster compounds
Eduardo Schott, Ximena Zarate, Ramiro Arratia-Pérez
Polyhedron, 2012, 36 (1), 127-132
DOI:10.1016/j.poly.2012.02.011
Photophysical properties of [Cu(binap)2]+ and [Pd(binap)2] complexes: A theoretical study
Ximena Zarate, Eduardo Schott, Rodrigo Ramirez-Tagle, Desmond MacLeod-Carey, Ramiro Arratia-Pérez
Polyhedron 2012, 37 (1), 54-59
DOI:10.1016/j.poly.2012.02.009
The paramagnetic and luminescent [Re6Se8I6]3- cluster. Its potential use as an antitumoral and biomarker agent
Cesar Echeverría, Alvaro Becerra, Felipe Nuñez-Villena, Alvaro Muñoz-Castro, Jimmy Stehberg, Zhiping Zheng, Ramiro Arratia-Perez, Felipe Simon and Rodrigo Ramírez-Tagle
New J. Chem., 2012, 36, 927-932
DOI:10.1039/C2NJ21016A
Optical and magnetic properties of bis (dicyclooctatetraenyl) diuranium complex. A theoretical view
D. Paez-Hernandez, J. Murillo-Lopez, R. Arratia-Perez
Organometallics 2012, 31, 6297−6304
DOI:10.1021/om300560h
Aromaticity, Optical Properties and Zero Field Splitting of homo and hetero-bimetallic(C8H8)M(μ:η8=C8H8)M(C8H8) where M=Ti, Zr, Th complexes
Dayán Páez-Hernández, Ramiro Arratia-Perez
J. Phys. Chem. A, 2012, 116, 7584–7592
DOI:10.1021/jp3039576
Charge Transfer Effects on the Paramagnetic Properties of the[M(C8H8)2] and [M(C5H5)(C8H8)]; M=Ti, Zr, Hf and Th, complexes
D. Paez-Hernandez, R. Arratia-Perez
Polyhedron, 2012, 36, 69-72
DOI:10.1016/j.poly.2012.01.020