Zoila Barandiarán

Papers authored by Zoila Barandiarán

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1994 Martin A. Nygren, Lars G. M. Petterson, Lars G. M. Pettersson

, Zoila Barandiarán

, Luis Seijo

Bonding between CO and the MgO(001) surface: A modified picture

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1993 José Luis Pascual, Luis Seijo, Zoila Barandiarán

Ab initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts

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Luis Seijo, Zoila Barandiarán

, Lars G. M. Pettersson

Ab initio model potential study of pressure effects on K2NaGaF6:Cr3+

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1992 Luis Seijo, Zoila Barandiarán

, Sigeru Huzinaga

Atomic valence correlation energies from ab initio model potential calculations

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Z. Barandiaran

, L. Seijo

Beyond the Embedded-Cluster Approximation - An Abinitio Treatment of Polarization Effects

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1991 Luis Seijo, Zoila Barandiarán

Ab initio model potential study of local distortions around Cr+ and Cr3+ defects in fluorite

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1990 Z. Barandiaran

, L. Seijo, S. Huzinaga

The Abinitio Model Potential Method - 2nd-Series Transition-Metal Elements

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1989 Luis Seijo, Zoila Barandiarán

, Sigeru Huzinaga

The ab initio model potential method. First series transition metal elements

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1988 Z. Barandiaran

, L. Seijo

The Abinitio Model Potential Representation of the Crystalline Environment - Theoretical-Study of the Local Distortion on Nacl-Cu+

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1987 Sigeru Huzinaga, Luis Seijo, Zoila Barandiarán

, Mariusz Klobukowski

The ab initio model potential method. Main group elements

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M. Klobukowski, Zoila Barandiarán

, Luis Seijo, S. Huzinaga

Towards HF SCF value of electron affinity of SF6

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E. Francisco, M. Florez, Z. Barandiaran

, G. F. Rodrigo, Luana, J. M. Recio, M. Bermejo, L. Seijo, L. Pueyo

THEORETICAL D-D SPECTRUM AND SPECTRAL PARAMETERS OF CRZ+(Z=1-4), MN-2+, AND V-2+ IN FLUORIDE LATTICES

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1986 Z. Barandiaran

, L. Seijo, S. Huzinaga, M. Klobukowski

Structure and properties of transition-metal compounds. A systematic study of basis set effects inab initioSCF calculations

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L. Seijo, Z. Barandiarán

, V. Luaña, L. Pueyo

Core-projection effects in near ab initio valence calculations of the electronic ground state of the octahedral CrF4−6

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V. Luaña, Z. Barandiarán

, L. Pueyo

Model potentials suitable for calculations with slater-type basis for Sc through Zn

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Z. Barandiaran

, L. Seijo

Extended Model Potential Calculations on I-2 and Hl Molecules

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1985 Jan Andzelm, Elżbieta Radzio, Zoila Barandiarán

, Luis Seijo

New developments in the model potential method: ScO molecule

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L. Seijo, Z. Barandiaran

, M. Klobukowski, S. Huzinaga

Ab initio calculations on transition metal compounds using small minimal GTO basis sets

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1984 Z. Barandiarán

, L. Seijo, L. Pueyo

On the importance of an accurate representation of the Ewald potential throughout the cluster volume in the calculation of the cluster-lattice interaction

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Z. Barandiarán

, L. Pueyo

Lattice effects on bonding, covalency, and transferred hyperfine interaction in K2NaCrF6 and CrF3

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Papers authored by Zoila Barandiarán