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Results: 1-13 |
Results: 13
AB-INITIO MODEL POTENTIAL EMBEDDED-CLUSTER STUDY OF THE STRUCTURE ANDSPECTROSCOPY OF V3-DOPED ELPASOLITES K2NASCF6, CS2NAYCL6 AND CS2NAYBR6()
Authors: ALABDALLA A SEIJO L BARANDIARAN Z
Citation: A. Alabdalla et al., AB-INITIO MODEL POTENTIAL EMBEDDED-CLUSTER STUDY OF THE STRUCTURE ANDSPECTROSCOPY OF V3-DOPED ELPASOLITES K2NASCF6, CS2NAYCL6 AND CS2NAYBR6(), Journal of molecular structure. Theochem, 451(1-2), 1998, pp. 135-142
MULTIPLE-EXCITED-STATE ABSORPTION OF V2-FIELD CRYSTALS - AN AB-INITIOMODEL-POTENTIAL EMBEDDED-CLUSTER STUDY( IN LOW)
Authors: LOPEZMORAZA S SEIJO L BARANDIARAN Z
Citation: S. Lopezmoraza et al., MULTIPLE-EXCITED-STATE ABSORPTION OF V2-FIELD CRYSTALS - AN AB-INITIOMODEL-POTENTIAL EMBEDDED-CLUSTER STUDY( IN LOW), Physical review. B, Condensed matter, 57(19), 1998, pp. 11974-11979
A NEW INTERPRETATION OF THE BONDING AND SPECTROSCOPY OF THE TETRAOXOFERRATE(VI) FEO42- ION
Authors: ALABDALLA A SEIJO L BARANDIARAN Z
Citation: A. Alabdalla et al., A NEW INTERPRETATION OF THE BONDING AND SPECTROSCOPY OF THE TETRAOXOFERRATE(VI) FEO42- ION, The Journal of chemical physics, 109(15), 1998, pp. 6396-6405
AB-INITIO MODEL POTENTIAL EMBEDDED-CLUSTER STUDY OF THE GROUND AND LOWEST EXCITED-STATES OF CR3+ DEFECTS IN THE ELPASOLITES CS2NAYCL6 AND CS2NAYBR6
Authors: ALABDALLA A BARANDIARAN Z SEIJO L LINDH R
Citation: A. Alabdalla et al., AB-INITIO MODEL POTENTIAL EMBEDDED-CLUSTER STUDY OF THE GROUND AND LOWEST EXCITED-STATES OF CR3+ DEFECTS IN THE ELPASOLITES CS2NAYCL6 AND CS2NAYBR6, The Journal of chemical physics, 108(5), 1998, pp. 2005-2014
AB-INITIO MODEL-POTENTIAL EMBEDDED-CLUSTER STUDY OF JAHN-TELLER PARAMETERS AND ELECTRONIC-TRANSITION ENERGIES OF CR2+ IN OXIDE AND FLUORIDEOCTAHEDRAL COORDINATION
Authors: PASCUAL JL SEIJO L BARANDIARAN Z
Citation: Jl. Pascual et al., AB-INITIO MODEL-POTENTIAL EMBEDDED-CLUSTER STUDY OF JAHN-TELLER PARAMETERS AND ELECTRONIC-TRANSITION ENERGIES OF CR2+ IN OXIDE AND FLUORIDEOCTAHEDRAL COORDINATION, Physical review. B, Condensed matter, 53(3), 1996, pp. 1138-1145
AB-INITIO MODEL POTENTIAL CALCULATIONS ON THE ELECTRONIC-SPECTRUM OF NI2-DOPED MGO INCLUDING CORRELATION, SPIN-ORBIT AND EMBEDDING EFFECTS()
Authors: LLUSAR R CASARRUBIOS M BARANDIARAN Z SEIJO L
Citation: R. Llusar et al., AB-INITIO MODEL POTENTIAL CALCULATIONS ON THE ELECTRONIC-SPECTRUM OF NI2-DOPED MGO INCLUDING CORRELATION, SPIN-ORBIT AND EMBEDDING EFFECTS(), The Journal of chemical physics, 105(13), 1996, pp. 5321-5330
EXCITED-STATE ABSORPTION-SPECTRA OF V2-DOPED FLUOROPEROVSKITES - AN AB-INITIO MODEL POTENTIAL EMBEDDED-CLUSTER STUDY()
Authors: LOPEZMORAZA S BARANDIARAN Z
Citation: S. Lopezmoraza et Z. Barandiaran, EXCITED-STATE ABSORPTION-SPECTRA OF V2-DOPED FLUOROPEROVSKITES - AN AB-INITIO MODEL POTENTIAL EMBEDDED-CLUSTER STUDY(), The Journal of chemical physics, 105(1), 1996, pp. 50-61
APPLICATIONS OF THE GROUP-FUNCTION THEORY TO THE FIELD OF MATERIALS SCIENCE
Authors: SEIJO L BARANDIARAN Z
Citation: L. Seijo et Z. Barandiaran, APPLICATIONS OF THE GROUP-FUNCTION THEORY TO THE FIELD OF MATERIALS SCIENCE, International journal of quantum chemistry, 60(1), 1996, pp. 617-634
AB-INITIO MODEL POTENTIAL EMBEDDED-CLUSTER STUDY OF V2-DOPED FLUOROPEROVSKITES - EFFECTS OF DIFFERENT HOSTS ON THE LOCAL DISTORTION AND ELECTRONIC-STRUCTURE OF T-4(2G)-(4)A(2G) LASER LEVELS()
Authors: LOPEZMORAZA S PASCUAL JL BARANDIARAN Z
Citation: S. Lopezmoraza et al., AB-INITIO MODEL POTENTIAL EMBEDDED-CLUSTER STUDY OF V2-DOPED FLUOROPEROVSKITES - EFFECTS OF DIFFERENT HOSTS ON THE LOCAL DISTORTION AND ELECTRONIC-STRUCTURE OF T-4(2G)-(4)A(2G) LASER LEVELS(), The Journal of chemical physics, 103(6), 1995, pp. 2117-2125
AB-INITIO MODEL POTENTIAL STUDY OF THE OPTICAL-ABSORPTION SPECTRUM OFMN2-DOPED CAF2()
Authors: PASCUAL JL SEIJO L BARANDIARAN Z
Citation: Jl. Pascual et al., AB-INITIO MODEL POTENTIAL STUDY OF THE OPTICAL-ABSORPTION SPECTRUM OFMN2-DOPED CAF2(), The Journal of chemical physics, 103(12), 1995, pp. 4841-4846
QUASI-RELATIVISTIC AB-INITIO MODEL POTENTIAL CALCULATIONS ON THE GROUP-IV HYDRIDES (XH(2), XH(4), X=SI, GE, SN, PB) AND OXIDES (XO, X=GE, SN, PB)
Authors: BARANDIARAN Z SEIJO L
Citation: Z. Barandiaran et L. Seijo, QUASI-RELATIVISTIC AB-INITIO MODEL POTENTIAL CALCULATIONS ON THE GROUP-IV HYDRIDES (XH(2), XH(4), X=SI, GE, SN, PB) AND OXIDES (XO, X=GE, SN, PB), The Journal of chemical physics, 101(5), 1994, pp. 4049-4054
BONDING BETWEEN CO AND THE MGO(001) SURFACE - A MODIFIED PICTURE
Authors: NYGREN MA PETTERSSON LGM BARANDIARAN Z SEIJO L
Citation: Ma. Nygren et al., BONDING BETWEEN CO AND THE MGO(001) SURFACE - A MODIFIED PICTURE, The Journal of chemical physics, 100(3), 1994, pp. 2010-2018
ABINITIO MODEL POTENTIAL STUDY OF ENVIRONMENTAL-EFFECTS ON THE JAHN-TELLER PARAMETERS OF CU2+ AND AG2+ IMPURITIES IN MGO, CAO, AND SRO HOSTS
Authors: PASCUAL JL SEIJO L BARANDIARAN Z
Citation: Jl. Pascual et al., ABINITIO MODEL POTENTIAL STUDY OF ENVIRONMENTAL-EFFECTS ON THE JAHN-TELLER PARAMETERS OF CU2+ AND AG2+ IMPURITIES IN MGO, CAO, AND SRO HOSTS, The Journal of chemical physics, 98(12), 1993, pp. 9715-9724
Risultati: 1-13 |