AAAAAA

   
Results: 1-22 |
Results: 22
VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM OF MONOMETHYL AND DIMETHYL DERIVATIVES OF 6,8-DIOXABICYCLO[3.2.1]OCTANE
Authors: ASHVAR CS DEVLIN FJ STEPHENS PJ BAK KL EGGIMANN T WIESER H
Citation: Cs. Ashvar et al., VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM OF MONOMETHYL AND DIMETHYL DERIVATIVES OF 6,8-DIOXABICYCLO[3.2.1]OCTANE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(34), 1998, pp. 6842-6857
A 2ND-ORDER DOUBLES CORRECTION TO EXCITATION-ENERGIES IN THE RANDOM-PHASE-APPROXIMATION
Authors: CHRISTIANSEN O BAK KL KOCH H SAUER SPA
Citation: O. Christiansen et al., A 2ND-ORDER DOUBLES CORRECTION TO EXCITATION-ENERGIES IN THE RANDOM-PHASE-APPROXIMATION, Chemical physics letters, 284(1-2), 1998, pp. 47-55
AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA - 6,8-DIOXABICYCLO[3.2.1]OCTANE
Authors: ASHVAR CS DEVLIN FJ BAK KL TAYLOR PR STEPHENS PJ
Citation: Cs. Ashvar et al., AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA - 6,8-DIOXABICYCLO[3.2.1]OCTANE, Journal of physical chemistry, 100(22), 1996, pp. 9262-9270
ACCURATE MAGNETIZABILITIES OF THE ISOELECTRONIC SERIES BEH-, BH, AND CH- THE MCSCF-GIAO APPROACH( )
Authors: RUUD K HELGAKER T BAK KL JORGENSEN P OLSEN J
Citation: K. Ruud et al., ACCURATE MAGNETIZABILITIES OF THE ISOELECTRONIC SERIES BEH-, BH, AND CH- THE MCSCF-GIAO APPROACH( ), Chemical physics, 195(1-3), 1995, pp. 157-169
ORBITAL CONNECTIONS FOR PERTURBATION-DEPENDENT BASIS-SETS
Authors: OLSEN J BAK KL RUUD K HELGAKER T JORGENSEN P
Citation: J. Olsen et al., ORBITAL CONNECTIONS FOR PERTURBATION-DEPENDENT BASIS-SETS, Theoretica Chimica Acta, 90(5-6), 1995, pp. 421-439
AB-INITIO CALCULATION OF ELECTRONIC CIRCULAR-DICHROISM FOR TRANS-CYCLOOCTENE USING LONDON ATOMIC ORBITALS
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
SCF CALCULATIONS OF THE NMR SHIELDING TENSOR FOR THE ETHYLENIC CARBON-ATOM IN C3CL4
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
AB-INITIO CALCULATIONS OF ATOMIC POLAR AND AXIAL TENSORS USING THE LOCALIZED ORBITAL LOCAL ORIGIN (LORG) APPROACH
Authors: BAK KL HANSEN AE STEPHENS PJ
Citation: Kl. Bak et al., AB-INITIO CALCULATIONS OF ATOMIC POLAR AND AXIAL TENSORS USING THE LOCALIZED ORBITAL LOCAL ORIGIN (LORG) APPROACH, Journal of physical chemistry, 99(48), 1995, pp. 17359-17363
AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USINGGAUGE-INVARIANT ATOMIC ORBITALS
Authors: BAK KL DEVLIN FJ ASHVAR CS TAYLOR PR FRISCH MJ STEPHENS PJ
Citation: Kl. Bak et al., AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USINGGAUGE-INVARIANT ATOMIC ORBITALS, Journal of physical chemistry, 99(41), 1995, pp. 14918-14922
AB-INITIO CALCULATIONS OF ANHARMONIC VIBRATIONAL CIRCULAR-DICHROISM INTENSITIES OF TRANS-2,3-DIDEUTERIOOXIRANE
Authors: BAK KL BLUDSKY O JORGENSEN P
Citation: Kl. Bak et al., AB-INITIO CALCULATIONS OF ANHARMONIC VIBRATIONAL CIRCULAR-DICHROISM INTENSITIES OF TRANS-2,3-DIDEUTERIOOXIRANE, The Journal of chemical physics, 103(24), 1995, pp. 10548-10555
AB-INITIO CALCULATIONS OF ANHARMONIC VIBRATIONAL TRANSITION INTENSITIES OF TRANS-2,3-DIDEUTERIOOXIRANE
Authors: BLUDSKY O BAK KL JORGENSEN P SPIRKO V
Citation: O. Bludsky et al., AB-INITIO CALCULATIONS OF ANHARMONIC VIBRATIONAL TRANSITION INTENSITIES OF TRANS-2,3-DIDEUTERIOOXIRANE, The Journal of chemical physics, 103(23), 1995, pp. 10110-10115
A NUMERICALLY STABLE ORBITAL CONNECTION FOR THE CALCULATION OF ANALYTICAL HESSIANS USING PERTURBATION-DEPENDENT BASIS-SETS
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
BASIS-SET CONVERGENCE AND CORRELATION-EFFECTS IN VIBRATIONAL CIRCULAR-DICHROISM CALCULATIONS USING LONDON ATOMIC ORBITALS
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
VIBRATIONAL RAMAN OPTICAL-ACTIVITY CALCULATIONS USING LONDON ATOMIC ORBITALS
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
BASIS-SET CONVERGENCE OF ATOMIC AXIAL TENSORS OBTAINED FROM SELF-CONSISTENT-FIELD CALCULATIONS USING LONDON ATOMIC ORBITALS
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
MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD CALCULATIONS OF NUCLEAR SHIELDINGS USING LONDON ATOMIC ORBITALS
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
AN AB-INITIO NUCLEAR-MAGNETIC-RESONANCE SPECTRUM OF VINYLLITHIUM
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
THEORETICAL CALCULATIONS OF THE MAGNETIZABILITY OF SOME SMALL FLUORINE-CONTAINING MOLECULES USING LONDON ATOMIC ORBITALS
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
MCSCF CALCULATIONS OF NITROGEN NMR SHIELDING CONSTANTS USING LONDON ATOMIC ORBITALS
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
MAGNETIZABILITY OF HYDROCARBONS
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
HARTREE-FOCK LIMIT MAGNETIZABILITIES FROM LONDON ORBITALS
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
GAUGE-ORIGIN INDEPENDENT MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD THEORY FOR VIBRATIONAL CIRCULAR-DICHROISM
Authors: BAK KL JORGENSEN P HELGAKER T RUUD K JENSEN HJA
Citation: Kl. Bak et al., GAUGE-ORIGIN INDEPENDENT MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD THEORY FOR VIBRATIONAL CIRCULAR-DICHROISM, The Journal of chemical physics, 98(11), 1993, pp. 8873-8887
Risultati: 1-22 |