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Results: 1-10 |
Results: 10
FROM CLUSTERS TO BULK - A RELATIVISTIC DENSITY-FUNCTIONAL INVESTIGATION ON A SERIES OF GOLD CLUSTERS AU-N, N=6,...,147
Authors: HABERLEN OD CHUNG SC STENER M ROSCH N
Citation: Od. Haberlen et al., FROM CLUSTERS TO BULK - A RELATIVISTIC DENSITY-FUNCTIONAL INVESTIGATION ON A SERIES OF GOLD CLUSTERS AU-N, N=6,...,147, The Journal of chemical physics, 106(12), 1997, pp. 5189-5201
RELEVANCE OF RELATIVISTIC EXCHANGE-CORRELATION FUNCTIONALS AND OF FINITE NUCLEI IN MOLECULAR DENSITY-FUNCTIONAL CALCULATIONS
Authors: MAYER M HABERLEN OD ROSCH N
Citation: M. Mayer et al., RELEVANCE OF RELATIVISTIC EXCHANGE-CORRELATION FUNCTIONALS AND OF FINITE NUCLEI IN MOLECULAR DENSITY-FUNCTIONAL CALCULATIONS, Physical review. A, 54(6), 1996, pp. 4775-4782
DENSITY-FUNCTIONAL STUDY ON THE ELECTRONIC-STRUCTURE OF TRIOXORHENIUMORGANYLS
Authors: KOSTLMEIER S HABERLEN OD ROSCH N HERRMANN WA SOLOUKI B BOCK H
Citation: S. Kostlmeier et al., DENSITY-FUNCTIONAL STUDY ON THE ELECTRONIC-STRUCTURE OF TRIOXORHENIUMORGANYLS, Organometallics, 15(7), 1996, pp. 1872-1878
THE LIPOPHILICALLY WRAPPED POLYION AGGREGATE ([BA6LI3O2](11-O--(CH3)(3)](11)(OC4H8)(3)), A FACE-SHARING (OCTAHEDRON PLUS PRISMANE) BA6LI3O2POLYHEDRON IN A HYDROCARBON ELLIPSOID - PREPARATION, SINGLE-CRYSTAL STRUCTURE-ANALYSIS, AND DENSITY-FUNCTIONAL CALCULATIONS() [(OC))
Authors: BOCK H HAUCK T NATHER C ROSCH N STAUFER M HABERLEN OD
Citation: H. Bock et al., THE LIPOPHILICALLY WRAPPED POLYION AGGREGATE ([BA6LI3O2](11-O--(CH3)(3)](11)(OC4H8)(3)), A FACE-SHARING (OCTAHEDRON PLUS PRISMANE) BA6LI3O2POLYHEDRON IN A HYDROCARBON ELLIPSOID - PREPARATION, SINGLE-CRYSTAL STRUCTURE-ANALYSIS, AND DENSITY-FUNCTIONAL CALCULATIONS() [(OC)), Angewandte Chemie, International Edition in English, 34(12), 1995, pp. 1353-1355
THE PHOTOELECTRON-SPECTRUM OF ETHYLENE-OXIDE ADSORBED AT METAL-SURFACES - A DENSITY-FUNCTIONAL MODEL CLUSTER STUDY OF C2H4O NI(11O)/
Authors: ULBRICHT P HABERLEN OD WEINELT M STEINRUCK HP ROSCH N
Citation: P. Ulbricht et al., THE PHOTOELECTRON-SPECTRUM OF ETHYLENE-OXIDE ADSORBED AT METAL-SURFACES - A DENSITY-FUNCTIONAL MODEL CLUSTER STUDY OF C2H4O NI(11O)/, Surface science, 326(1-2), 1995, pp. 53-58
QUENCHING OF MAGNETIC-MOMENTS BY LIGAND-METAL INTERACTIONS IN NANOSIZED MAGNETIC METAL-CLUSTERS
Authors: VANLEEUWEN DA VANRUITENBEEK JM DEJONGH LJ CERIOTTI A PACCHIONI G HABERLEN OD ROSCH N
Citation: Da. Vanleeuwen et al., QUENCHING OF MAGNETIC-MOMENTS BY LIGAND-METAL INTERACTIONS IN NANOSIZED MAGNETIC METAL-CLUSTERS, Physical review letters, 73(10), 1994, pp. 1432-1435
RELATIVISTIC DENSITY-FUNCTIONAL STUDIES OF NAKED AND LIGATED GOLD CLUSTERS
Authors: HABERLEN OD CHUNG SC ROSCH N
Citation: Od. Haberlen et al., RELATIVISTIC DENSITY-FUNCTIONAL STUDIES OF NAKED AND LIGATED GOLD CLUSTERS, International journal of quantum chemistry, 1994, pp. 595-610
ON THE METALLIC DROPLET MODEL FOR SUCCESSIVE IONIZATION-POTENTIALS OFMETAL-CLUSTERS - RELATIVISTIC ELECTRONIC-STRUCTURE INVESTIGATIONS OF THE ICOSAHEDRAL GOLD CLUSTER (AU-55)
Authors: HABERLEN OD CHUNG SC ROSCH N
Citation: Od. Haberlen et al., ON THE METALLIC DROPLET MODEL FOR SUCCESSIVE IONIZATION-POTENTIALS OFMETAL-CLUSTERS - RELATIVISTIC ELECTRONIC-STRUCTURE INVESTIGATIONS OF THE ICOSAHEDRAL GOLD CLUSTER (AU-55), Berichte der Bunsengesellschaft fur Physikalische Chemie, 98(6), 1994, pp. 882-885
STABILITY OF MAIN-GROUP ELEMENT-CENTERED GOLD CLUSTER CATIONS
Authors: HABERLEN OD SCHMIDBAUR H ROSCH N
Citation: Od. Haberlen et al., STABILITY OF MAIN-GROUP ELEMENT-CENTERED GOLD CLUSTER CATIONS, Journal of the American Chemical Society, 116(18), 1994, pp. 8241-8248
EFFECT OF PHOSPHINE SUBSTITUENTS IN GOLD(I) COMPLEXES - A THEORETICAL-STUDY OF MEAUPR3, R = H, ME, PH
Authors: HABERLEN OD ROSCH N
Citation: Od. Haberlen et N. Rosch, EFFECT OF PHOSPHINE SUBSTITUENTS IN GOLD(I) COMPLEXES - A THEORETICAL-STUDY OF MEAUPR3, R = H, ME, PH, Journal of physical chemistry, 97(19), 1993, pp. 4970-4973
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