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Results: 1-25/77
Authors:
KLOPPER W
HELGAKER T
Citation: W. Klopper et T. Helgaker, EXTRAPOLATION TO THE LIMIT OF A COMPLETE BASIS-SET FOR ELECTRONIC-STRUCTURE CALCULATIONS ON THE N-2 MOLECULE, Theoretical chemistry accounts, 99(4), 1998, pp. 265-271
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:
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:
CHRISTIANSEN O
HALKIER A
KOCH H
JORGENSEN P
HELGAKER T
Citation: O. Christiansen et al., INTEGRAL-DIRECT COUPLED-CLUSTER CALCULATIONS OF FREQUENCY-DEPENDENT POLARIZABILITIES, TRANSITION-PROBABILITIES AND EXCITED-STATE PROPERTIES, The Journal of chemical physics, 108(7), 1998, pp. 2801-2816
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:
HALKIER A
HELGAKER T
JORGENSEN P
KLOPPER W
KOCH H
OLSEN J
WILSON AK
Citation: A. Halkier et al., BASIS-SET CONVERGENCE IN CORRELATED CALCULATIONS ON NE, N-2, AND H2O, Chemical physics letters, 286(3-4), 1998, pp. 243-252
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:
HALKIER A
KOCH H
JORGENSEN P
CHRISTIANSEN O
NIELSEN IMB
HELGAKER T
Citation: A. Halkier et al., A SYSTEMATIC AB-INITIO STUDY OF THE WATER DIMER IN HIERARCHIES OF BASIS-SETS AND CORRELATION MODELS, Theoretical chemistry accounts, 97(1-4), 1997, pp. 150-157
Authors:
KLOPPER W
NOGA J
KOCH H
HELGAKER T
Citation: W. Klopper et al., MULTIPLE BASIS-SETS IN CALCULATIONS OF TRIPLES CORRECTIONS IN COUPLED-CLUSTER THEORY, Theoretical chemistry accounts, 97(1-4), 1997, pp. 164-176
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:
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
FIRST-ORDER ONE-ELECTRON PROPERTIES IN THE INTEGRAL-DIRECT COUPLED-CLUSTER SINGLES AND DOUBLES MODEL
Authors:
HALKIER A
KOCH H
CHRISTIANSEN O
JORGENSEN P
HELGAKER T
Citation: A. Halkier et al., FIRST-ORDER ONE-ELECTRON PROPERTIES IN THE INTEGRAL-DIRECT COUPLED-CLUSTER SINGLES AND DOUBLES MODEL, The Journal of chemical physics, 107(3), 1997, pp. 849-866
Authors:
RUUD K
HELGAKER T
RIZZO A
CORIANI S
MIKKELSEN KV
Citation: K. Ruud et al., THE COTTON-MOUTON EFFECT OF LIQUID WATER .1. THE DIELECTRIC CONTINUUMMODEL, The Journal of chemical physics, 107(3), 1997, pp. 894-901
Authors:
RUUD K
HELGAKER T
JORGENSEN P
Citation: K. Ruud et al., THE EFFECT OF CORRELATION ON MOLECULAR MAGNETIZABILITIES AND ROTATIONAL G-TENSORS, The Journal of chemical physics, 107(24), 1997, pp. 10599-10606
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