Bonding analysis using localized relativistic orbitals: water, the ultrarelativistic case and the heavy homologues H2X (X = Te, Po, eka-Po) von Dubillard, S, Rota, J-B, Saue, T, Faegri, K

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Principles of direct 4-component relativistic SCF: application to caesium auride von SAUE, By T., FAEGRI, K., HELGAKER, T., GROPEN, O.

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Relativistic Gaussian basis sets for the elements K - Uuo von Faegri Jr, Knut

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The electronic structure of the PtH molecule : fully relativistic configuration interaction calculations of the ground and excited states von VISSCHER, L, SAUE, T, NIEUWPOORT, W. C, FAEGRI, K, GROPEN, O

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All-electron molecular Dirac-Hartree-Fock calculations - The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4 von Dyall, Kenneth G., Taylor, Peter R., Faegri, Knut, Jr, Partridge, Harry

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Even tempered basis sets for four-component relativistic quantum chemistry von Fægri, Knut

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Principles for a direct SCF approach to LICAO-MOab-initio calculations von Almlöf, J., Faegri Jr, K., Korsell, K.

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Energy-optimized GTO basis sets for LCAO Calculations. A Gradient Approach von Faegri Jr, Knut, Almlof, Jan

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(Pentamethylcyclopentadienyl)indium(I) and -indium(III) compounds. Syntheses, reactivities, and x-ray diffraction and electron diffraction studies of In(C5Me5) von Beachley, O. T, Blom, Richard, Churchill, Melvyn Rowen, Faegri, Knut, Fettinger, James C, Pazik, J. C, Victoriano, L

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Diatomic molecules between very heavy elements of group 13 and group 17: A study of relativistic effects on bonding von Fægri, Knut, Saue, Trond

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A theoretical study of the chemisorption of methane on a Ni(100) surface von Swang, Ole, Faegri, Knut, Gropen, Odd, Wahlgren, Ulf, Siegbahn, Per

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Direct relativistic MP2: properties of ground state CuF, AgF and AuF von Laerdahl, Jon K., Saue, Trond, Faegri Jr, Knut

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Ab initio Study of PT -Odd Interactions in Thallium Fluoride von Laerdahl, J. K., Saue, T., Fægri, K., Quiney, H. M.

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Bonding analysis using localized relativistic orbitals:Water, the ultrarelativistic case and the heavy homologues H 2 X ( X = Te , Po, eka-Po) von Dubillard, S., Rota, J.-B., Saue, T., Faegri, K.

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Adduct influences on (cyclopentadienyl)lithium von Blom, Richard, Faegri, Knut, Midtgaard, Tonje

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The molecular structure of niobium pentachloride by quantum chemical calculations and gas electron diffraction von Gove, S.K, Gropen, O, Fægri, K, Haaland, A, Martinsen, K.-G, Strand, T.G, Volden, H.V, Swang, O

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The chemistry of superheavy elements. III. Theoretical studies on element 113 compounds von Seth, Michael, Schwerdtfeger, Peter, Fægri, Knut

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Relativistic effects on the bonding of heavy and superheavy hydrogen halides von Saue, Trond, Faegri, Knut, Gropen, Odd

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How well does the Hartree–Fock model predict equilibrium geometries of transition metal complexes? Large-scale LCAO–SCF studies on ferrocene and decamethylferrocene von Lüthi, H. P., Ammeter, J. H., Almlöf, J., Faegri, K.

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Basis set quality vs size: approximate Gaussian-type orbital (GTO) wave functions for first row transition metal atoms von FAEGRI, K. JR, SPEIS, H. J

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