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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:
SJOVOLL M
FAGERLI H
GROPEN O
ALMLOF J
OLSEN J
HELGAKER TU
Citation: M. Sjovoll et al., SPIN-ORBIT AND CORRELATION-EFFECTS IN PLATINUM HYDRIDE (PTH), International journal of quantum chemistry, 68(1), 1998, pp. 53-64
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:
SJOVOLL M
GROPEN O
OLSEN J
Citation: M. Sjovoll et al., A DETERMINANTAL APPROACH TO SPIN-ORBIT CONFIGURATION-INTERACTION, Theoretical chemistry accounts, 97(1-4), 1997, pp. 301-312
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:
RYENG H
GROPEN O
SWANG O
Citation: H. Ryeng et al., MOLECULAR-STRUCTURE AND C-O STRETCH FREQUENCIES OF THE COBALT CARBONYLS CO(CO)(N), N=1, 4, AS STUDIED BY DENSITY-FUNCTIONAL THEORY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(47), 1997, pp. 8956-8958
Authors:
ELLINGSEN K
SAUE T
AKSELA H
GROPEN O
Citation: K. Ellingsen et al., CL 2P-PHOTOELECTRON SPECTRUM OF HCL STUDIED BY FULLY RELATIVISTIC, SELF-CONSISTENT-FIELD, AND CONFIGURATION-INTERACTION CALCULATIONS, Physical review. A, 55(4), 1997, pp. 2743-2747
Authors:
SAUE T
FAEGRI K
HELGAKER T
GROPEN O
Citation: T. Saue et al., PRINCIPLES OF DIRECT 4-COMPONENT RELATIVISTIC SCF - APPLICATION TO CESIUM AURIDE, Molecular physics, 91(5), 1997, pp. 937-950
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:
SJOVOLL M
FAGERLI H
GROPEN O
ALMLOF J
SAUE T
OLSEN J
HELGAKER T
Citation: M. Sjovoll et al., EXTENSIVE RELATIVISTIC CALCULATIONS ON THE PALLADIUM HYDRIDE MOLECULE, The Journal of chemical physics, 107(14), 1997, pp. 5496-5501
Authors:
SWANG O
BAERENDS EJ
FAEGRI K
GROPEN O
Citation: O. Swang et al., THEORETICAL CLUSTER MODEL STUDIES OF BIMETALLIC HETEROGENEOUS CATALYSIS - DISSOCIATION OF HYDROGEN ON PURE AND RHENIUM-DOPED PT(1,O,O), Journal of molecular structure. Theochem, 388, 1996, pp. 321-329
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:
SAUE T
FAEGRI K
GROPEN O
Citation: T. Saue et al., RELATIVISTIC EFFECTS ON THE BONDING OF HEAVY AND SUPERHEAVY HYDROGEN HALIDES, Chemical physics letters, 263(3-4), 1996, pp. 360-366
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:
GROPEN O
SJOVOLL M
STROMSNES H
KARLSEN E
SWANG O
FAEGRI K
Citation: O. Gropen et al., RECP CALCULATIONS FOR REACTIONS OF H-2 WITH PT, OS, IR, AND RE - A SYSTEMATIC COMPARISON, Theoretica Chimica Acta, 87(4-5), 1994, pp. 373-385
Authors:
SWANG O
FAEGRI K
GROPEN O
Citation: O. Swang et al., THEORETICAL-STUDY OF METHANE ACTIVATION BY RE, OS, IR, AND PT (VOL 98, PG 3006, 1994), Journal of physical chemistry, 98(51), 1994, pp. 13804-13804
Authors:
SWANG O
FAEGRI K
GROPEN O
Citation: O. Swang et al., THEORETICAL-STUDY OF METHANE ACTIVATION BY RE, OS, IR, AND PT, Journal of physical chemistry, 98(11), 1994, pp. 3006-3009
Authors:
VISSCHER L
SAUE T
NIEUWPOORT WC
FAEGRI K
GROPEN O
Citation: L. Visscher et al., THE ELECTRONIC-STRUCTURE OF THE PTH MOLECULE - FULLY RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS OF THE GROUND AND EXCITED-STATES, The Journal of chemical physics, 99(9), 1993, pp. 6704-6715
Authors:
SWANG O
FAEGRI K
GROPEN O
Citation: O. Swang et al., THEORETICAL CLUSTER MODEL STUDIES OF BIMETALLIC HETEROGENEOUS CATALYSIS - DISSOCIATION OF HYDROGEN ON A RHENIUM-DOPED NICKEL CLUSTER, Chemical physics letters, 207(4-6), 1993, pp. 397-402
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