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Results:
1-22
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Results: 22
Authors:
SJOVOLL M
FAGERLI H
GROPEN O
ALMLOF J
SCHIMMELPFENNIG B
WAHLGREN U
Citation: M. Sjovoll et al., AN EFFICIENT TREATMENT OF KINEMATIC FACTORS IN PSEUDO-RELATIVISTIC CALCULATIONS OF ELECTRONIC-STRUCTURE, Theoretical chemistry accounts, 99(1), 1998, pp. 1-7
Authors:
FAGERLI H
SCHIMMELPFENNIG B
GROPEN O
WAHLGREN U
Citation: H. Fagerli et al., SPIN-ORBIT EFFECTS IN THE PTH2+ ION, Journal of molecular structure. Theochem, 451(1-2), 1998, pp. 227-235
Authors:
MALKINA OL
SCHIMMELPFENNIG B
KAUPP M
HESS BA
CHANDRA P
WAHLGREN U
MALKIN VG
Citation: Ol. Malkina et al., SPIN-ORBIT CORRECTIONS TO NMR SHIELDING CONSTANTS FROM DENSITY-FUNCTIONAL THEORY - HOW IMPORTANT ARE THE 2-ELECTRON TERMS, Chemical physics letters, 296(1-2), 1998, pp. 93-104
Authors:
WAHLGREN U
SCHIMMELPFENNIG B
JUSUF S
STROMSNES H
GROPEN O
MARON L
Citation: U. Wahlgren et al., A LOCAL APPROXIMATION FOR RELATIVISTIC SCALAR OPERATORS APPLIED TO THE URANYL-ION AND TO AU-2, Chemical physics letters, 287(5-6), 1998, pp. 525-530
Authors:
SCHIMMELPFENNIG B
MARON L
WAHLGREN U
TEICHTEIL C
FAGERLI H
GROPEN O
Citation: B. Schimmelpfennig et al., ON THE EFFICIENCY OF AN EFFECTIVE HAMILTONIAN IN SPIN-ORBIT CI CALCULATIONS, Chemical physics letters, 286(3-4), 1998, pp. 261-266
Authors:
SCHIMMELPFENNIG B
MARON L
WAHLGREN U
TEICHTEIL C
FAGERLI H
GROPEN O
Citation: B. Schimmelpfennig et al., ON THE COMBINATION OF ECP-BASED CI CALCULATIONS WITH ALL-ELECTRON SPIN-ORBIT MEAN-FIELD INTEGRALS, Chemical physics letters, 286(3-4), 1998, pp. 267-271
Authors:
WAHLGREN U
SJOVOLL M
FAGERLI H
GROPEN O
SCHIMMELPFENNIG B
Citation: U. Wahlgren et al., AB INITO CALCULATIONS OF THE P-2(1 2)-P-2(3/2) SPLITTING IN THE THALLIUM ATOM/, Theoretical chemistry accounts, 97(1-4), 1997, pp. 324-330
Authors:
STROMHOLM C
DANARED H
LARSON A
LARSSON M
MARIAN C
ROSEN S
SCHIMMELPFENNIG B
SCHNEIDER IF
SEMANIAK J
SUZORWEINER A
WAHLGREN U
VANDERZANDE WJ
Citation: C. Stromholm et al., IMAGING SPECTROSCOPY OF RECOMBINATION FRAGMENTS OF OH+, Journal of physics. B, Atomic molecular and optical physics, 30(21), 1997, pp. 4919-4933
Authors:
LAUNILA O
SCHIMMELPFENNIG B
FAGERLI H
GROPEN O
TAKLIF AG
WAHLGREN U
Citation: O. Launila et al., SPECTROSCOPY OF NBO - CHARACTERIZATION OF THE DOUBLET MANIFOLD, Journal of molecular spectroscopy, 186(1), 1997, pp. 131-143
Authors:
STRANDH H
PETERSSON LGM
SJOBERG L
WAHLGREN U
Citation: H. Strandh et al., QUANTUM-CHEMICAL STUDIES OF THE EFFECTS ON SILICATE MINERAL DISSOLUTION RATES BY ADSORPTION OF ALKALI-METALS, Geochimica et cosmochimica acta, 61(13), 1997, pp. 2577-2587
Authors:
TRIGUERO L
WAHLGREN U
PETTERSSON LGM
SIEGBAHN P
Citation: L. Triguero et al., DFT AND MO CALCULATIONS OF ATOMIC AND MOLECULAR CHEMISORPTION ENERGIES ON SURFACE CLUSTER-MODELS, Theoretica Chimica Acta, 94(5), 1996, pp. 297-310
Authors:
SWANG O
FAEGRI K
GROPEN O
WAHLGREN U
Citation: O. Swang et al., CHEMISORPTION OF HYDROGEN AND OXYGEN-ATOMS ON A COBALT SURFACE - A QUANTUM-CHEMICAL CLUSTER MODEL STUDY, International journal of quantum chemistry, 57(1), 1996, pp. 105-111
Authors:
MARIAN CM
WAHLGREN U
Citation: Cm. Marian et U. Wahlgren, A NEW MEAN-FIELD AND ECP-BASED SPIN-ORBIT METHOD - APPLICATIONS TO PTAND PTH, Chemical physics letters, 251(5-6), 1996, pp. 357-364
Authors:
HESS BA
MARIAN CM
WAHLGREN U
GROPEN O
Citation: Ba. Hess et al., A MEAN-FIELD SPIN-ORBIT METHOD APPLICABLE TO CORRELATED WAVE-FUNCTIONS, Chemical physics letters, 251(5-6), 1996, pp. 365-371
Authors:
WITTBORN C
WAHLGREN U
Citation: C. Wittborn et U. Wahlgren, NEW RELATIVISTIC EFFECTIVE CORE POTENTIALS FOR HEAVY-ELEMENTS, Chemical physics, 201(2-3), 1995, pp. 357-362
Authors:
ERIKSSON LA
PETTERSSON LGM
SIEGBAHN PEM
WAHLGREN U
Citation: La. Eriksson et al., ON THE ACCURACY OF GRADIENT-CORRECTED DENSITY-FUNCTIONAL METHODS FOR TRANSITION-METAL COMPLEXES, The Journal of chemical physics, 102(2), 1995, pp. 872-878
Authors:
TRIGUERO L
WAHLGREN U
BOUSSARD P
SIEGBAHN P
Citation: L. Triguero et al., CALCULATIONS OF HYDROGEN CHEMISORPTION ENERGIES ON OPTIMIZED COPPER CLUSTERS, Chemical physics letters, 237(5-6), 1995, pp. 550-559
Authors:
WAHLGREN U
SIEGBAHN PEM
Citation: U. Wahlgren et Pem. Siegbahn, ON THE USE OF SMALL D-SPACES IN SCF AND CI CALCULATIONS ON TRANSITION-METALS, Theoretica Chimica Acta, 87(4-5), 1994, pp. 267-275
Authors:
AKESSON R
PERSSON I
SANDSTROM M
WAHLGREN U
Citation: R. Akesson et al., STRUCTURE AND BONDING OF SOLVATED MERCURY(II) AND THALLIUM(III) DIHALIDE AND DICYANIDE COMPLEXES BY XAFS SPECTROSCOPIC MEASUREMENTS AND THEORETICAL CALCULATIONS, Inorganic chemistry, 33(17), 1994, pp. 3715-3723
Authors:
AKESSON R
PETTERSSON LGM
SANDSTROM M
WAHLGREN U
Citation: R. Akesson et al., LIGAND-FIELD EFFECTS IN THE HYDRATED DIVALENT AND TRIVALENT METAL-IONS OF THE FIRST AND 2ND TRANSITION PERIODS, Journal of the American Chemical Society, 116(19), 1994, pp. 8691-8704
Authors:
AKESSON R
PETTERSSON LGM
SANDSTROM M
WAHLGREN U
Citation: R. Akesson et al., THEORETICAL-STUDY ON WATER-EXCHANGE REACTIONS OF THE DIVALENT AND TRIVALENT METAL TONS OF THE FIRST TRANSITION PERIOD, Journal of the American Chemical Society, 116(19), 1994, pp. 8705-8713
Authors:
AKESSON R
PETTERSSON LGM
SANDSTROM M
SIEGBAHN PEM
WAHLGREN U
Citation: R. Akesson et al., THEORETICAL-STUDY OF WATER-EXCHANGE REACTIONS FOR THE DIVALENT IONS OF THE 1ST TRANSITION PERIOD, Journal of physical chemistry, 97(15), 1993, pp. 3765-3774
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