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51

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

Journal:

Year:

2012

Language:

english

File:

PDF, 759 KB

english, 2012

52

Charge transfer effects on the paramagnetic properties of the [M(C8H8)2] and M(C5H5)(C8H8); M = Ti, Zr, Hf and Th, complexes

Dayán Páez-Hernández, Ramiro Arratia-Pérez

Journal:

Year:

2012

Language:

english

File:

PDF, 300 KB

english, 2012

53

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

Journal:

Year:

2012

Language:

english

File:

PDF, 430 KB

english, 2012

54

A new heterobimetallic manganese–rhodium carbonyl complex derived from partially alkylated s-indacene

Morales-Verdejo, César, Oehninger, Luciano, Martínez-Díaz, Iván, Mac-Leod Carey, Desmond, Arratia-Pérez, Ramiro, Chávez, Ivonne, Manríquez, Juan Manuel

Journal:

Inorganica Chimica Acta

Year:

2013

Language:

english

File:

PDF, 910 KB

english, 2013

55

Tellurium(0) as a Ligand: Synthesis and Characterization of 2-Pyridyltellurolates of Platinum(II) and Structures of [Pt{2-Te-3-(R)C 5 H 3 N} 2 Te(PR′ 3 )] (R = H or Me)

Chauhan, Rohit Singh, Kedarnath, G., Wadawale, Amey, Muñoz-Castro, Alvaro, Arratia-Perez, Ramiro, Jain, Vimal K., Kaim, Wolfgang

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 1.54 MB

english, 2010

56

Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO 2 Solar Cells

Oviedo, M. Belén, Zarate, Ximena, Negre, Christian F. A., Schott, Eduardo, Arratia-Pérez, Ramiro, Sánchez, Cristián G.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 394 KB

english, 2012

57

Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine–Phthalocyanine Complexes

Zarate, Ximena, Schott, Eduardo, Gomez, Tatiana, Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 524 KB

english, 2013

58

Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria

Daniela A. Geraldo, Nicolás Arancibia-Miranda, Nicolás A. Villagra, Guido C. Mora, Ramiro Arratia-Perez

Journal:

Journal of Nanoparticle Research

Year:

2012

Language:

english

File:

PDF, 429 KB

english, 2012

59

Effects of the peripheral substituents (–NH2, –OH, –CH3, –H, –C6H5, –Cl, –CO2H and –NO2) on molecular properties of a Ni-Porphyrazine dimers family

Zarate, Ximena, Schott, Eduardo, Arratia-Pérez, Ramiro

Journal:

Year:

2013

Language:

english

File:

PDF, 1.10 MB

english, 2013

60

Bonding, energetic, electronic delocalization and optical properties of MCp3 complexes, where M=Sc, Y, La, Ac, Lu, Ce, Yb and Th

Ferraro, Franklin, Arratia-Pérez, Ramiro

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 620 KB

english, 2012

61

The aromaticity of the [Re3(μ-X)3X9]3− clusters, X=Cl, Br, I

Alvarado-Soto, Leonor, Schott V, Eduardo, Zarate, Ximena, Arratia-Pérez, Ramiro, Ramirez-Tagle, Rodrigo

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 536 KB

english, 2012

62

Aromaticity, Optical Properties and Zero Field Splitting of Homo- and Hetero-bimetallic (C 8 H 8 )M(μ 2 –,η 8 ═C 8 H 8 )M(C 8 H 8 ) where M = Ti, Zr, Th Complexes

Páez-Hernández, Dayán, Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.81 MB

english, 2012

63

Correction to “Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine–Phthalocyanine Complexes”

Zarate, Ximena, Schott, Eduardo, Gomez, Tatiana, Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2013

File:

PDF, 99 KB

2013

64

Substituents effect on the electronic structure and molecular properties of bis[organohydrazido(2−)] molybdenum(VI) complexes

Schott, Eduardo, Zarate, Ximena, MacLeod-Carey, Desmond, Arratia-Perez, Ramiro, Bustos, Carlos

Journal:

Year:

2013

Language:

english

File:

PDF, 629 KB

english, 2013

65

A Relativistic Study of the Electronic and Magnetic Properties of Cerocene and Thorocene and Its Anions

Ferraro, Franklin, Barboza, Cristina Aparecida, Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 276 KB

english, 2012

66

Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives

Barboza, Cristina A., Barboza, Ezequiel, Arratia-Perez, Ramiro, Carey, Desmond Mac-Leod

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

67

Antenna Effect by Organometallic Chromophores in Bimetallic d–f Complexes

Ferraro, Franklin, Páez-Hernández, Dayan, Murillo-López, Juliana A., Muñoz-Castro, Alvaro, Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 777 KB

english, 2013

68

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

Schott, Eduardo, Zarate, Ximena, Arratia-Perez, Ramiro

Journal:

Dyes and Pigments

Year:

2013

Language:

english

File:

PDF, 264 KB

english, 2013

69

Heterobimetallic RePd complexes bridged by η1:η5-Ph2PC5H4 ligand. Synthesis, electronic and crystal structure of (CO)2(PR3)(η5-C5H4PPh2)Re–PdCl2, R = Me and OMe

Sierra, Diego, Klahn, A. Hugo, Ramirez-Tagle, Rodrigo, Arratia-Perez, Ramiro, Godoy, Fernando, Teresa Garland, Maria, Fuentealba, Mauricio

Journal:

Dalton Transactions

Year:

2010

Language:

english

File:

PDF, 357 KB

english, 2010

70

The paramagnetic and luminescent [Re6Se8I6]3− cluster. Its potential use as an antitumoral and biomarker agent

Echeverría, Cesar, Becerra, Alvaro, Nuñez-Villena, Felipe, Muñoz-Castro, Alvaro, Stehberg, Jimmy, Zheng, Zhiping, Arratia-Perez, Ramiro, Simon, Felipe, Ramírez-Tagle, Rodrigo

Journal:

New Journal of Chemistry

Year:

2012

Language:

english

File:

PDF, 1.53 MB

english, 2012

71

Ground state of octahedral platinum hexafluoride

Alvarez-Thon, Luis, David, J., Arratia-Pérez, Ramiro, Seppelt, Konrad

Journal:

Physical Review A

Year:

2008

Language:

english

File:

PDF, 78 KB

english, 2008

72

New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex

Morales-Verdejo, César, Martínez-Díaz, Iván, Adams, Christopher, Araneda, Juan Felipe, Oehninger, Luciano, Mac-Leod Carey, Desmond, Muñoz-Castro, Alvaro, Arratia-Pérez, Ramiro, Chávez, Ivonne, Manríqu

Journal:

Year:

2014

Language:

english

File:

PDF, 2.33 MB

english, 2014

73

Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)

Miranda-Rojas, S., Muñoz-Castro, Alvaro, Arratia-Pérez, Ramiro, Mendizábal, Fernando

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.39 MB

english, 2013

74

Novel titanocene derived from a partially alkylated s-indacene: Synthesis, characterization and comparative study with its zirconium analog

Oehninger, Luciano, Araneda, Juan Felipe, Morales-Verdejo, César, Muñoz-Castro, Alvaro, Mac-Leod Carey, Desmond, Adams, Christopher, Arratia-Pérez, Ramiro, Rojas, Rene, Manríquez, Juan Manuel, Chávez,

Journal:

Inorganica Chimica Acta

Year:

2013

Language:

english

File:

PDF, 464 KB

english, 2013

75

Role of the main adsorption modes in the interaction of the dye [COOH–TPP-Zn(ii)] on a periodic TiO2 slab exposing a rutile (110) surface in a dye-sentized solar cell

Gomez, Tatiana, Zarate, Ximena, Schott, Eduardo, Arratia-Perez, Ramiro

Journal:

Year:

2014

Language:

english

File:

PDF, 528 KB

english, 2014

76

Theoretical and Experimental Study of Bonding and Optical Properties of Self-Assembly Metallophthalocyanines Complexes on a Gold Surface. A Survey of the Substrate–Surface Interaction.

Ponce, Ingrid, Silva, J. Francisco, Oñate, Ruben, Miranda-Rojas, Sebastian, Muñoz-Castro, Alvaro, Arratia-Pérez, Ramiro, Mendizabal, Fernando, Zagal, José H.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.54 MB

english, 2011

77

Electronic structure of octachloroditungstate(II)

Arratia-Perez, Ramiro, Case, David A.

Journal:

Inorganic Chemistry

Year:

1984

Language:

english

File:

PDF, 412 KB

english, 1984

78

Optical and Magnetic Properties of the Complex Bis(dicyclooctatetraenyl)diuranium. A Theoretical View

Páez-Hernández, Dayán, Murillo-López, Juliana Andrea, Arratia-Pérez, Ramiro

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 3.91 MB

english, 2012

79

Reactivity of Dipyridyl Ditellurides with (Diphosphine)Pt 0 and 2-Pyridyltellurolates with (Diphosphine)PtCl 2 and Isolation of Different Structural Motifs of Platinum(II) Complexes

Chauhan, Rohit Singh, Kedarnath, G., Wadawale, Amey, Rheingold, Arnold L., Muñoz-Castro, Alvaro, Arratia-Perez, Ramiro, Jain, Vimal K.

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 2.46 MB

english, 2012

80

Intramolecular and Lateral Intermolecular Hole Transfer at the Sensitized TiO 2 Interface

Hu, Ke, Robson, Kiyoshi C. D., Beauvilliers, Evan E., Schott, Eduardo, Zarate, Ximena, Arratia-Perez, Ramiro, Berlinguette, Curtis P., Meyer, Gerald J.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 3.79 MB

english, 2014

81

Reactivity trends of Fe phthalocyanines confined on graphite electrodes in terms of donor–acceptor intermolecular hardness: Linear versus volcano correlations

Linares-Flores, C., Espinoza-Vergara, J., Zagal, J.H., Arratia-Perez, R.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 975 KB

english, 2014

82

Electronic Structure and Molecular Properties of the Heptacyanorhenate [Re(CN) 7 ] 3- and [Re(CN) 7 ] 4- Complexes

David, Jorge, Mendizábal, Fernando, Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 217 KB

english, 2006

83

Correction to Reactivity of Dipyridyl Ditellurides with (Diphosphine)Pt 0 and 2-Pyridyltellurolates with (Diphosphine)PtCl 2 and Isolation of Different Structural Motifs of Platinum(II) Complexes

Chauhan, Rohit Singh, Kedarnath, G., Wadawale, Amey, Rheingold, Arnold L., Muñoz-Castro, Alvaro, Arratia-Perez, Ramiro, Jain, Vimal K.

Journal:

Organometallics

Year:

2012

File:

PDF, 100 KB

2012

84

Reinterpreting the Role of the Catalyst Formal Potential. The case of Thiocyanate Electrooxidation Catalyzed by CoN4-Macrocyclic Complexes

Linares-Flores, C., Mac-Leod Carey, D., Muñoz-Castro, A., Zagal, J. H., Pavez, J., Pino-Riffo, D., Arratia-Pérez, R.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.00 MB

english, 2012

85

π-Donor/Acceptor Effect on Lindqvist Type Polyoxomolibdates Because of Various Multiple-Bonded Nitrogenous Ligands

Carey, Desmond Mac-Leod, Muñoz-Castro, Alvaro, Bustos, Carlos J., Manríquez, Juan M., Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 196 KB

english, 2007

86

Direct Spectroscopic Evidence for Constituent Heteroatoms Enhancing Charge Recombination at a TiO 2 −Ruthenium Dye Interface

Hu, Ke, Severin, Holly A., Koivisto, Bryan D., Robson, Kiyoshi C. D., Schott, Eduardo, Arratia-Perez, Ramiro, Meyer, Gerald J., Berlinguette, Curtis P.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.64 MB

english, 2014

87

Cluster carbonyls of the [Re6(μ3-Se)8]2+ core: synthesis, structural characterization, and computational analysis

Orto, Peter J., Nichol, Gary S., Okumura, Noriko, Evans, Dennis H., Arratia-Pérez, Ramiro, Ramirez-Tagle, Rodrigo, Wang, Ruiyao, Zheng, Zhiping

Journal:

Dalton Transactions

Year:

2008

Language:

english

File:

PDF, 313 KB

english, 2008

88

Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re 6 (μ 3 -Q 8 )] 2+ Clusters

Rabanal-León, Walter A., Murillo-López, Juliana A., Páez-Hernández, Dayán, Arratia-Pérez, Ramiro

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.04 MB

english, 2014

89

Covalent lanthanide( iii ) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule

Rabanal-León, Walter A., Páez-Hernández, Dayán, Arratia-Pérez, Ramiro

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 5.47 MB

english, 2014

90

Electronic structure and metal–metal communication in (CpM)2(as-indacene) and (CpM)2(s-indacene) (M = Mn, Fe, Co, Ni) complexes: a DFT investigation

Garland, Maria Teresa, Kahlal, Samia, Carey, Desmond Mac-Leod, Arratia-Pérez, Ramiro, Manríquez, Juan Manuel, Saillard, Jean-Yves

Journal:

New Journal of Chemistry

Year:

2011

Language:

english

File:

PDF, 2.70 MB

english, 2011

91

Dirac scattered-wave calculations for Ag2+3, Auq+3, and Auq+4 (q=1, 2) clusters

Arratia-Perez, Ramiro, Malli, Gulzari L.

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 773 KB

english, 1986

92

Dirac scattered-wave study of trigonal bipyramidal silver clusters Ag5q+ (q=0, 2–4)

Arratia-Perez, Ramiro, Malli, Gulzari L.

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.15 MB

english, 1986

93

Reply to “Comment on ‘Ground state of octahedral platinum hexafluoride’ ”

Alvarez-Thon, Luis, Arratia-Pérez, Ramiro, Seppelt, Konrad

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 40 KB

english, 2009

94

Relativistic effects on molecular hyperfine interactions: Application to XeF and CsO

Arratia-Perez, Ramiro, Case, David A.

Journal:

The Journal of Chemical Physics

Year:

1983

Language:

english

File:

PDF, 1.05 MB

english, 1983

95

Bonding in metal hexacarbonyls

Arratia-Perez, Ramiro, Yang, Cary Y.

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 926 KB

english, 1985

96

Molecular hyperfine interactions in Ag(CO)3

Arratia-Perez, Ramiro, Marynick, Dennis S.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 819 KB

english, 1987

97

Calculated Paramagnetic Hyperfine Structure of the C2v Isomers of Ag3

Bravo-Vasquez, J. Pablo, Arratia-Perez, Ramiro

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 615 KB

english, 1994

98

Probing the aromaticity of the [(HtAc)3(μ2-H)6], [(HtTh)3(μ2-H)6],+, and [(HtPa)3(μ2-H)6] clusters

Ramírez-Tagle, Rodrigo, Alvarado-Soto, Leonor, Arratia-Perez, Ramiro, Bast, Radovan, Alvarez-Thon, Luis

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.65 MB

english, 2011

99

Exploring the nature of the excitation energies in [Re 6 (μ 3 -Q 8 )X 6 ] 4− clusters: a relativistic approach

Rabanal-León, Walter A., Murillo-López, Juliana A., Páez-Hernández, Dayán, Arratia-Pérez, Ramiro

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.27 MB

english, 2015

100

trans -Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)

Trujillo, Alexander, Fuentealba, Mauricio, Arratia-Perez, Ramiro, Howard, Judith A. K.

Journal:

Acta Crystallographica Section E Structure Reports Online

Year:

2012

Language:

english

File:

PDF, 399 KB

english, 2012