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1983 …2019
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Research Output 1983 2019

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Article
2003
10 Citations (Scopus)
2001
22 Citations (Scopus)

Calculated paramagnetic resonance parameters of the luminescent Re6S8Cl63- cluster ion

Alvarez-Thon, L., Hernández-Acevedo, L. & Arratia-Pérez, R., 8 Jul 2001, In : Journal of Chemical Physics. 115, 2, p. 726-730 5 p.

Research output: Contribution to journalArticle

paramagnetic resonance
Molecular orbitals
Paramagnetic resonance
Ions
Orbital calculations
1999
9 Citations (Scopus)

Calculated paramagnetic properties of the acute GaAs2 and obtuse Ga2As clusters

Arratia-Pérez, R., Hernández-Acevedo, L. & Weiss-López, B., 8 Jun 1999, In : Journal of Chemical Physics. 110, 22, p. 10882-10887 6 p.

Research output: Contribution to journalArticle

Molecular orbitals
Atoms
molecular orbitals
electron spin
atoms
16 Citations (Scopus)

Relativistic electronic structure of an icosahedral Au12Pd cluster

Arratia-Pérez, R. & Hernández-Acevedo, L., 16 Apr 1999, In : Chemical Physics Letters. 303, 5-6, p. 641-648 8 p.

Research output: Contribution to journalArticle

Electronic structure
electronic structure
Point groups
Electronegativity
Angular momentum
71 Citations (Scopus)

The hexanuclear rhenium cluster ions Re6S8X4- 6 (X=Cl, Br, I): Are these clusters luminescent?

Arratia-Pérez, R. & Hernández-Acevedo, L., 1 Feb 1999, In : Journal of Chemical Physics. 110, 5, p. 2529-2532 4 p.

Research output: Contribution to journalArticle

Rhenium
rhenium
Molecular orbitals
Ions
Ground state
78 Citations (Scopus)

The Re6Se8Cl64- and Re6Se8l64- cluster ions: Another example of luminescent clusters?

Arratia-Pérez, R. & Hernández-Acevedo, L., 1 Jul 1999, In : Journal of Chemical Physics. 111, 1, p. 168-172 5 p.

Research output: Contribution to journalArticle

Molecular orbitals
Ions
Ground state
molecular orbitals
ions
1998
19 Citations (Scopus)

Calculated paramagnetic hyperfine structure of pentagonal bipyramid Ag7 cluster

Arratia-Pérez, R., Hernández-Acevedo, L. & Alvarez-Thon, L., 8 Apr 1998, In : Journal of Chemical Physics. 108, 14, p. 5795-5798 4 p.

Research output: Contribution to journalArticle

hyperfine structure
Silver
Tensors
Point groups
Atoms
12 Citations (Scopus)

Calculated paramagnetic resonance parameters of a gallium arsenide cluster: Ga2As3

Arratia-Pérez, R. & Hernández-Acevedo, L., 1 Dec 1998, In : Journal of Chemical Physics. 109, 9, p. 3497-3500 4 p.

Research output: Contribution to journalArticle

paramagnetic resonance
gallium
Tensors
Paramagnetic resonance
Orbital calculations
1997
9 Citations (Scopus)

A Dirac molecular orbital study for hexanuclear tungsten cluster structures

Arratia-Pérez, R. & Hernández-Acevedo, L., 3 Oct 1997, In : Chemical Physics Letters. 277, 1-3, p. 223-226 4 p.

Research output: Contribution to journalArticle

Tungsten
Molecular orbitals
molecular orbitals
tungsten
Ligands
1996
3 Citations (Scopus)

A Dirac molecular orbital study for the tetragonal compression in the RuY6I2- 12 cluster

Arratia-Pérez, R. & Hernández-Acevedo, L., 7 Jun 1996, In : Chemical Physics Letters. 255, 1-3, p. 217-222 6 p.

Research output: Contribution to journalArticle

Molecular orbitals
molecular orbitals
Point groups
Jahn-Teller effect
Angular momentum
1995
2 Citations (Scopus)

A Dirac molecular orbital study for encapsulated heavy transition metals within ytrium cluster iodides

Arratia-Pérez, R. & Hernández-Acevedo, L., 15 Dec 1995, In : Chemical Physics Letters. 247, 1-2, p. 163-167 5 p.

Research output: Contribution to journalArticle

Iodides
Molecular orbitals
heavy metals
iodides
Heavy metals
7 Citations (Scopus)

Calculated paramagnetic properties of matrix isolated Au3 cluster

Arratia-Pérez, R., Hernández-Acevedo, L. & Gómez-Jeria, J. S., 7 Apr 1995, In : Chemical Physics Letters. 236, 1-2, p. 37-42 6 p.

Research output: Contribution to journalArticle

matrices
Wave functions
Gold
Paramagnetic resonance
Mathematical operators
1994
6 Citations (Scopus)

Calculated paramagnetic hyperfine structure of the C2v, isomers of Ag3

Bravo-Vásquez, J. P. & Arratia-Pérez, R., 1994, In : Journal of Physical Chemistry. 98, 22, p. 5627-5631 5 p.

Research output: Contribution to journalArticle

hyperfine structure
Isomers
isomers
paramagnetic resonance
Molecular orbitals
1993
15 Citations (Scopus)

Spin-orbit effects on heavy metal octahedral clusters

Arratia-Pérez, R. & Hernández-Acevedo, L., 1 Jan 1993, In : Journal of Molecular Structure: THEOCHEM. 282, 1-2, p. 131-141 11 p.

Research output: Contribution to journalArticle

phosphine
Orbit
Molecular orbitals
heavy metals
Heavy Metals
11 Citations (Scopus)

Spin-orbit effects on RuO4 and OsO4

Arratia-Pérez, R., 26 Feb 1993, In : Chemical Physics Letters. 203, 4, p. 409-414 6 p.

Research output: Contribution to journalArticle

Orbits
Metals
orbits
Orbital calculations
Molecular orbitals
14 Citations (Scopus)

The M6S8L6 clusters: an example in cluster and condensed phase chemistry

Arratia-Pérez, R., 15 Oct 1993, In : Chemical Physics Letters. 213, 5-6, p. 547-553 7 p.

Research output: Contribution to journalArticle

molecular clusters
chemistry
valence
Orbital calculations
Atoms
1991
5 Citations (Scopus)
Point groups
Electronic structure
Conformations
Molecular orbitals
Metals
1989
45 Citations (Scopus)

Calculated electronic structure of Au13 clusters

Arratia-Perez, R., Ramos, A. F. & Malli, G. L., 1 Jan 1989, In : Physical Review B. 39, 5, p. 3005-3009 5 p.

Research output: Contribution to journalArticle

Gold
Electronic structure
Tensors
electronic structure
Jahn-Teller effect
1988
6 Citations (Scopus)

Paramagnetic resonance hyperfine structure of hexachloroprotactinate(IV)

Arratia-Perez, R. & Marynick, D. S., 1988, In : Physical Review B. 37, 10, p. 4893-4899 7 p.

Research output: Contribution to journalArticle

paramagnetic resonance
hyperfine structure
Paramagnetic resonance
Chlorine
Magnetic moments
1987
10 Citations (Scopus)

Bonding, optical, and magnetic properties of paramagnetic Ag41+ and Ag43+ clusters

Arratia-Perez, R. & Malli, G. L., 1 Jun 1987, In : Journal of Magnetic Resonance (1969). 73, 1, p. 134-142 9 p.

Research output: Contribution to journalArticle

magnetic properties
optical properties
relativistic effects
spin-orbit interactions
relativity
34 Citations (Scopus)

Dirac scattered-wave calculations on an icosahedral Au13 cluster

Ramos, A. F., Arratia-Perez, R. & Malli, G. L., 1 Jan 1987, In : Physical Review B. 35, 8, p. 3790-3798 9 p.

Research output: Contribution to journalArticle

Photoemission
Molecular orbitals
Gold
Point groups
Relativity
4 Citations (Scopus)

Geometry, bonding, and optical and magnetic properties of Cu(CO)3. A theoretical study

Arratia-Perez, R., Axe, F. U. & Marynick, D. S., 1987, In : Journal of Physical Chemistry. 91, 20, p. 5177-5183 7 p.

Research output: Contribution to journalArticle

Carbon Monoxide
Tensors
Magnetic properties
Spin polarization
Orbits
3 Citations (Scopus)

Molecular hyperfine interactions in Ag(CO)3

Arratia-Perez, R. & Marynick, D. S., 1987, In : The Journal of Chemical Physics. 87, 8, p. 4644-4650 7 p.

Research output: Contribution to journalArticle

Molecular interactions
Carbon Monoxide
Silver
Tensors
interactions
1986
20 Citations (Scopus)

Bonding in the octahedral Au62+ cluster

Arratia-Perez, R. & Malli, G. L., 28 Mar 1986, In : Chemical Physics Letters. 125, 2, p. 143-148 6 p.

Research output: Contribution to journalArticle

phosphine
Molecular orbitals
relativistic effects
phosphines
Gold
26 Citations (Scopus)

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

Arratia‐perez, R. & Malli, G. L., 15 May 1986, In : Journal of Chemical Physics. 84, 10, p. 5891-5897 7 p.

Research output: Contribution to journalArticle

Tensors
relativistic effects
Ionization potential
Excitation energy
Molecular orbitals
22 Citations (Scopus)

Dirac scattered-wave study of trigonal bipyramidal silver clusters Ag 5q+ (q=0,2-4)

Arratia-Perez, R. & Malli, G. L., 1986, In : The Journal of Chemical Physics. 85, 11, p. 6610-6622 13 p.

Research output: Contribution to journalArticle

Hamiltonians
Silver
silver
Jahn-Teller effect
perturbation
6 Citations (Scopus)
Cisplatin
Electronic structure
Metals
relativistic effects
electronic structure
1985
31 Citations (Scopus)

Bonding in metal hexacarbonyls

Arratia-Perez, R. & Yang, C. Y., 1985, In : The Journal of Chemical Physics. 83, 8, p. 4005-4014 10 p.

Research output: Contribution to journalArticle

Metals
relativistic effects
metals
Ligands
ligands

Dirac scattered-wave calculations for Ag3 2+, Au 3 q+, and Au4 q+ (q=1,2) clusters

Arratia-Perez, R. & Malli, G. L., 1985, In : The Journal of Chemical Physics. 84, 1, p. 5891-5897 7 p.

Research output: Contribution to journalArticle

Tensors
relativistic effects
Ionization potential
Excitation energy
Molecular orbitals
1984
15 Citations (Scopus)

Electronic structure of tungsten hexacarbonyl

Yang, C. Y., Arratia-Perez, R. & Lopez, J. P., 25 May 1984, In : Chemical Physics Letters. 107, 2, p. 112-116 5 p.

Research output: Contribution to journalArticle

Electronic structure
tungsten
electronic structure
Molecules
Ionization potential
1983
54 Citations (Scopus)

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

Arratia-Perez, R. & Case, D. A., 1983, In : The Journal of Chemical Physics. 79, 10, p. 4939-4949 11 p.

Research output: Contribution to journalArticle

Molecular interactions
Fluorine
Multiple scattering
relativistic effects
Tensors