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Results: 51-75/77
Authors:
BAK KL
HANSEN AE
RUUD K
HELGAKER T
OLSEN J
JORGENSEN P
Citation: Kl. Bak et al., AB-INITIO CALCULATION OF ELECTRONIC CIRCULAR-DICHROISM FOR TRANS-CYCLOOCTENE USING LONDON ATOMIC ORBITALS, Theoretica Chimica Acta, 90(5-6), 1995, pp. 441-458
Authors:
JASZUNSKI M
HELGAKER T
RUUD K
JORGENSEN P
BAK KL
KOCH H
Citation: M. Jaszunski et al., SCF CALCULATIONS OF THE NMR SHIELDING TENSOR FOR THE ETHYLENIC CARBON-ATOM IN C3CL4, Molecular physics, 85(3), 1995, pp. 671-673
Authors:
RIZZO A
HELGAKER T
RUUD K
BARSZCZEWICZ A
JASZUNSKI M
JORGENSEN P
Citation: A. Rizzo et al., ELECTRIC-FIELD DEPENDENCE OF MAGNETIC-PROPERTIES - MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD CALCULATIONS OF HYPERMAGNETIZABILITIES AND NUCLEAR SHIELDING POLARIZABILITIES OF N-2, C2H2, HCN, AND H2O, The Journal of chemical physics, 102(22), 1995, pp. 8953-8966
Authors:
JASZUNSKI M
SZYMANSKI S
CHRISTIANSEN O
JORGENSEN P
HELGAKER T
RUUD K
Citation: M. Jaszunski et al., NMR PROPERTIES OF N-3(-) - A COMPARISON OF THEORY AND EXPERIMENT, Chemical physics letters, 243(1-2), 1995, pp. 144-150
Authors:
RUUD K
HELGAKER T
OLSEN J
JORGENSEN P
BAK KL
Citation: K. Ruud et al., A NUMERICALLY STABLE ORBITAL CONNECTION FOR THE CALCULATION OF ANALYTICAL HESSIANS USING PERTURBATION-DEPENDENT BASIS-SETS, Chemical physics letters, 235(1-2), 1995, pp. 47-52
Authors:
BAK KL
JORGENSEN P
HELGAKER T
RUUD K
Citation: Kl. Bak et al., BASIS-SET CONVERGENCE AND CORRELATION-EFFECTS IN VIBRATIONAL CIRCULAR-DICHROISM CALCULATIONS USING LONDON ATOMIC ORBITALS, Faraday discussions, (99), 1994, pp. 121-129
Authors:
HELGAKER T
RUUD K
BAK KL
JORGENSEN P
OLSEN J
Citation: T. Helgaker et al., VIBRATIONAL RAMAN OPTICAL-ACTIVITY CALCULATIONS USING LONDON ATOMIC ORBITALS, Faraday discussions, (99), 1994, pp. 165-180
Authors:
ISCHTWAN J
SCHWERDTFEGER P
PEYERIMHOFF SD
COLLINS MA
HELGAKER T
JORGENSEN P
JENSEN HJA
Citation: J. Ischtwan et al., MCSCF REACTION-PATH ENERGETICS AND THERMAL RATE-CONSTANTS FOR THE REACTION OF 3NH WITH H-2, Theoretica Chimica Acta, 89(2-3), 1994, pp. 157-168
Authors:
BARSZCZEWICZ A
HELGAKER T
JASZUNSKI M
JORGENSEN P
RUUD K
Citation: A. Barszczewicz et al., MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD CALCULATIONS OF NUCLEAR-MAGNETIC-RESONANCE INDIRECT SPIN-SPIN COUPLING-CONSTANTS, The Journal of chemical physics, 101(8), 1994, pp. 6822-6828
Authors:
BAK KL
JORGENSEN P
HELGAKER T
RUUD K
JENSEN HJA
Citation: Kl. Bak et al., BASIS-SET CONVERGENCE OF ATOMIC AXIAL TENSORS OBTAINED FROM SELF-CONSISTENT-FIELD CALCULATIONS USING LONDON ATOMIC ORBITALS, The Journal of chemical physics, 100(9), 1994, pp. 6620-6627
Authors:
HETTEMA H
WORMER PES
JORGENSEN P
JENSEN HJA
HELGAKER T
Citation: H. Hettema et al., FREQUENCY-DEPENDENT POLARIZABILITIES OF O-2 AND VAN-DER-WAALS COEFFICIENTS OF DIMERS CONTAINING O-2, The Journal of chemical physics, 100(2), 1994, pp. 1297-1302
Authors:
RUUD K
HELGAKER T
KOBAYASHI R
JORGENSEN P
BAK KL
JENSEN HJA
Citation: K. Ruud et al., MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD CALCULATIONS OF NUCLEAR SHIELDINGS USING LONDON ATOMIC ORBITALS, The Journal of chemical physics, 100(11), 1994, pp. 8178-8185
Authors:
OLSEN J
MINAEV B
VAHTRAS O
AGREN H
JORGENSEN P
JENSEN HJA
HELGAKER T
Citation: J. Olsen et al., THE VEGARD-KAPLAN BAND AND THE PHOSPHORESCENT DECAY OF N-2, Chemical physics letters, 231(4-6), 1994, pp. 387-394
Authors:
KOCH H
CHRISTIANSEN O
KOBAYASHI R
JORGENSEN P
HELGAKER T
Citation: H. Koch et al., A DIRECT ATOMIC ORBITAL DRIVEN IMPLEMENTATION OF THE COUPLED-CLUSTER SINGLES AND DOUBLES (CCSD) MODEL, Chemical physics letters, 228(1-3), 1994, pp. 233-238
Authors:
RUUD K
HELGAKER T
JORGENSEN P
BAK KL
Citation: K. Ruud et al., AN AB-INITIO NUCLEAR-MAGNETIC-RESONANCE SPECTRUM OF VINYLLITHIUM, Chemical physics letters, 226(1-2), 1994, pp. 1-10
Authors:
RUUD K
HELGAKER T
JORGENSEN P
BAK KL
Citation: K. Ruud et al., THEORETICAL CALCULATIONS OF THE MAGNETIZABILITY OF SOME SMALL FLUORINE-CONTAINING MOLECULES USING LONDON ATOMIC ORBITALS, Chemical physics letters, 223(1-2), 1994, pp. 12-18
Authors:
JASZUNSKI M
JORGENSEN P
RIZZO A
RUUD K
HELGAKER T
Citation: M. Jaszunski et al., MCSCF CALCULATIONS OF VERDET CONSTANTS, Chemical physics letters, 222(3), 1994, pp. 263-266
Authors:
JASZUNSKI M
HELGAKER T
RUUD K
BAK KL
JORGENSEN P
Citation: M. Jaszunski et al., MCSCF CALCULATIONS OF NITROGEN NMR SHIELDING CONSTANTS USING LONDON ATOMIC ORBITALS, Chemical physics letters, 220(3-5), 1994, pp. 154-160
Authors:
RUUD K
SKAANE H
HELGAKER T
BAK KL
JORGENSEN P
Citation: K. Ruud et al., MAGNETIZABILITY OF HYDROCARBONS, Journal of the American Chemical Society, 116(22), 1994, pp. 10135-10140
Authors:
KOCH H
AGREN H
JORGENSEN P
HELGAKER T
JENSEN HJA
Citation: H. Koch et al., LARGE-SCALE RANDOM PHASE CALCULATIONS FOR DIRECT SELF-CONSISTENT FIELD WAVE-FUNCTIONS, Chemical physics, 172(1), 1993, pp. 13-20
Authors:
BARSZCZEWICZ A
JASZUNSKI M
KAMIENSKATRELA K
HELGAKER T
JORGENSEN P
VAHTRAS O
Citation: A. Barszczewicz et al., AB-INITIO STUDY OF THE NMR SHIELDING CONSTANTS AND SPIN-SPIN COUPLING-CONSTANTS IN CYCLOPROPENE, Theoretica Chimica Acta, 87(1-2), 1993, pp. 19-28
Authors:
BRATEN SM
HELGAKER T
UGGERUD E
Citation: Sm. Braten et al., MECHANISM, ENERGETICS, KINETICS AND DYNAMICS OF THE REACTION C2H6-]C2H4+.+H2(.), Organic mass spectrometry, 28(10), 1993, pp. 1262-1269
Authors:
RUUD K
HELGAKER T
BAK KL
JORGENSEN P
JENSEN HJA
Citation: K. Ruud et al., HARTREE-FOCK LIMIT MAGNETIZABILITIES FROM LONDON ORBITALS, The Journal of chemical physics, 99(5), 1993, pp. 3847-3859
Authors:
JASZUNSKI M
JORGENSEN P
KOCH H
AGREN H
HELGAKER T
Citation: M. Jaszunski et al., FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES OF POLYYNES, The Journal of chemical physics, 98(9), 1993, pp. 7229-7235
Authors:
AGREN H
VAHTRAS O
KOCH H
JORGENSEN P
HELGAKER T
Citation: H. Agren et al., DIRECT ATOMIC ORBITAL BASED SELF-CONSISTENT-FIELD CALCULATIONS OF NONLINEAR MOLECULAR-PROPERTIES - APPLICATION TO THE FREQUENCY-DEPENDENT HYPERPOLARIZABILITY OF PARA-NITROANILINE, The Journal of chemical physics, 98(8), 1993, pp. 6417-6423