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Results: 1-25/63
Authors:
LUO Y
RUUD K
NORMAN P
JONSSON D
AGREN H
Citation: Y. Luo et al., SATURATION OF THE OPTICAL BAND-GAP AND PROPERTIES OF 5-MEMBERED HETEROAROMATIC OLIGOMERS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(10), 1998, pp. 1710-1712
Authors:
HELGAKER T
JASZUNSKI M
RUUD K
GORSKA A
Citation: T. Helgaker et al., BASIS-SET DEPENDENCE OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS, Theoretical chemistry accounts, 99(3), 1998, pp. 175-182
Authors:
ASTRAND PO
RUUD K
MIKKELSEN KV
HELGAKER T
Citation: Po. Astrand et al., ATOMIC CHARGES OF THE WATER MOLECULE AND THE WATER DIMER, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(39), 1998, pp. 7686-7691
Authors:
VOGES K
SUTTER DH
RUUD K
HELGAKER T
Citation: K. Voges et al., THE MOLECULAR ZEEMAN-EFFECT OF NORBORNADIENE, ITS G-VALUES, MAGNETIZABILITY ANISOTROPIES, AND MOLECULAR ELECTRIC QUADRUPOLE-MOMENT - A HIGH-RESOLUTION MICROWAVE FOURIER-TRANSFORM STUDY COMBINED WITH QUANTUM-CHEMICAL CALCULATIONS, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 53(1-2), 1998, pp. 67-76
Authors:
HELGAKER T
JASZUNSKI M
RUUD K
Citation: T. Helgaker et al., FULL CI CALCULATIONS OF MAGNETIC-PROPERTIES OF THE H-2 MOLECULE IN THE B-1-SIGMA(+)(U) STATE, Polish Journal of Chemistry, 72(7), 1998, pp. 1405-1410
Authors:
RIZZO A
RUUD K
HELGAKER T
JASZUNSKI M
Citation: A. Rizzo et al., ELECTRIC-FIELD GRADIENT, GENERALIZED STERNHEIMER SHIELDINGS AND ELECTRIC-FIELD GRADIENT POLARIZABILITIES BY MULTICONFIGURATIONAL SCF RESPONSE, The Journal of chemical physics, 109(6), 1998, pp. 2264-2274
Authors:
VAARA J
RUUD K
VAHTRAS O
AGREN H
JOKISAARI J
Citation: J. Vaara et al., QUADRATIC RESPONSE CALCULATIONS OF THE ELECTRONIC SPIN-ORBIT CONTRIBUTION TO NUCLEAR SHIELDING TENSORS, The Journal of chemical physics, 109(4), 1998, pp. 1212-1222
Authors:
JONSSON D
NORMAN P
RUUD K
AGREN H
HELGAKER T
Citation: D. Jonsson et al., ELECTRIC AND MAGNETIC-PROPERTIES OF FULLERENES, The Journal of chemical physics, 109(2), 1998, pp. 572-577
Authors:
VAARA J
LOUNILA J
RUUD K
HELGAKER T
Citation: J. Vaara et al., ROVIBRATIONAL EFFECTS, TEMPERATURE-DEPENDENCE, AND ISOTOPE EFFECTS ONTHE NUCLEAR SHIELDING TENSORS OF WATER - A NEW O-17 ABSOLUTE SHIELDING SCALE, The Journal of chemical physics, 109(19), 1998, pp. 8388-8397
Authors:
CORIANI S
HATTIG C
JORGENSEN P
RIZZO A
RUUD K
Citation: S. Coriani et al., COUPLED-CLUSTER INVESTIGATION OF THE ELECTRIC-FIELD-GRADIENT-INDUCED BIREFRINGENCE OF H-2, N-2, C2H2, AND CH4, The Journal of chemical physics, 109(17), 1998, pp. 7176-7184
Authors:
ASTRAND PO
MIKKELSEN KV
JORGENSEN P
RUUD K
HELGAKER T
Citation: Po. Astrand et al., SOLVENT EFFECTS ON NUCLEAR SHIELDINGS AND SPIN-SPIN COUPLINGS OF HYDROGEN SELENIDE, The Journal of chemical physics, 108(6), 1998, pp. 2528-2537
Authors:
RUUD K
AGREN H
DAHLE P
HELGAKER T
RIZZO A
CORIANI S
KOCH H
SYLVESTERHVID KO
MIKKELSEN KV
Citation: K. Ruud et al., THE COTTON-MOUTON EFFECT OF LIQUID WATER - PART-II - THE SEMI-CONTINUUM MODEL, The Journal of chemical physics, 108(2), 1998, pp. 599-603
Authors:
RUUD K
JONSSON D
NORMAN P
AGREN H
SAUE T
JENSEN HJA
DAHLE P
HELGAKER T
Citation: K. Ruud et al., GENERALIZED INTEGRAL-SCREENING FOR EFFICIENT CALCULATIONS OF NONLINEAR-OPTICAL PROPERTIES OF LARGE MOLECULES, The Journal of chemical physics, 108(19), 1998, pp. 7973-7979
Authors:
LUO Y
JONSSON D
NORMAN P
RUUD K
VAHTRAS O
MINAEV B
AGREN H
RIZZO A
MIKKELSEN KV
Citation: Y. Luo et al., SOME RECENT DEVELOPMENTS OF HIGH-ORDER RESPONSE THEORY, International journal of quantum chemistry, 70(1), 1998, pp. 219-239
Authors:
MINAEV B
VAARA J
RUUD K
VAHTRAS O
AGREN H
Citation: B. Minaev et al., INTERNUCLEAR DISTANCE DEPENDENCE OF THE SPIN-ORBIT-COUPLING CONTRIBUTIONS TO PROTON NMR CHEMICAL-SHIFTS, Chemical physics letters, 295(5-6), 1998, pp. 455-461
Authors:
JONSSON D
LUO Y
RUUD K
NORMAN P
AGREN H
Citation: D. Jonsson et al., CALCULATIONS OF CIRCULAR INTENSITY DIFFERENCES IN ELECTRIC-FIELD-INDUCED 2ND-HARMONIC GENERATION, Chemical physics letters, 288(2-4), 1998, pp. 371-376
Authors:
CORIANI S
JASZUNSKI M
RIZZO A
RUUD K
Citation: S. Coriani et al., MCSCF NUCLEAR MAGNETIC SHIELDINGS AND SPIN-ROTATION CONSTANTS OF O-17IN (OOO)-O-16-O-17-O-16 AND (OOO)-O-17-O-16-O-16, Chemical physics letters, 287(5-6), 1998, pp. 677-681
Authors:
LUO Y
NORMAN P
RUUD K
AGREN H
Citation: Y. Luo et al., MOLECULAR LENGTH DEPENDENCE OF OPTICAL-PROPERTIES OF HYDROCARBON OLIGOMERS, Chemical physics letters, 285(3-4), 1998, pp. 160-163
Authors:
RUUD K
AGREN H
HELGAKER T
DAHLE P
KOCH H
TAYLOR PR
Citation: K. Ruud et al., THE HARTREE-FOCK MAGNETIZABILITY OF C-60, Chemical physics letters, 285(3-4), 1998, pp. 205-209
Authors:
HAALAND A
SCHERER W
RUUD K
MCGRADY GS
DOWNS AJ
SWANG O
Citation: A. Haaland et al., ON THE NATURE AND INCIDENCE OF BETA-AGOSTIC INTERACTIONS IN ETHYL DERIVATIVES OF EARLY TRANSITION-METALS - ETHYLTITANIUM TRICHLORIDE AND RELATED-COMPOUNDS, Journal of the American Chemical Society, 120(15), 1998, pp. 3762-3772
Authors:
CORIANI S
RIZZO A
RUUD K
HELGAKER T
Citation: S. Coriani et al., COTTON-MOUTON EFFECT AND SHIELDING POLARIZABILITIES OF ETHYLENE - AN MCSCF STUDY, Chemical physics, 216(1-2), 1997, pp. 53-66
Authors:
RUUD K
HELGAKER T
UGGERUD E
Citation: K. Ruud et al., MECHANISMS, ENERGETICS AND DYNAMICS OF A KEY REACTION SEQUENCE DURINGTHE DECOMPOSITION OF NITROMETHANE - HNO-]N2O+H2O(HNO), Journal of molecular structure. Theochem, 393, 1997, pp. 59-71
Authors:
ASTRAND PO
RUUD K
MIKKELSEN KV
HELGAKER T
Citation: Po. Astrand et al., ELECTRIC AND MAGNETIC-PROPERTIES OF THE NITROETHENE MOLECULE, Molecular physics, 92(1), 1997, pp. 89-96
Authors:
HELGAKER T
JASZUNSKI M
RUUD K
Citation: T. Helgaker et al., AB-INITIO CALCULATION OF THE NMR SHIELDING AND INDIRECT SPIN-SPIN COUPLING-CONSTANTS OF FLUOROETHYLENE, Molecular physics, 91(5), 1997, pp. 881-889
Authors:
LOUNILA J
VAARA J
HILTUNEN Y
PULKKINEN A
JOKISAARI J
ALAKORPELA M
RUUD K
Citation: J. Lounila et al., ISOTOPE AND TEMPERATURE EFFECTS ON THE C-13 AND SE-77 NUCLEAR SHIELDING IN CARBON DISELENIDE, The Journal of chemical physics, 107(5), 1997, pp. 1350-1361