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Results: 1-22 |
Results: 22
CORRELATED, STATIC AND DYNAMIC POLARIZABILITIES OF SMALL MOLECULES - COMPARISON OF 4 BLACK-BOX METHODS
Authors: DALSKOV EK SAUER SPA
Citation: Ek. Dalskov et Spa. Sauer, CORRELATED, STATIC AND DYNAMIC POLARIZABILITIES OF SMALL MOLECULES - COMPARISON OF 4 BLACK-BOX METHODS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(27), 1998, pp. 5269-5274
THE VIBRATIONAL AND TEMPERATURE-DEPENDENCE OF THE INDIRECT NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF THE OXONIUM (H3O-) IONS() AND HYDROXYL (OH)
Authors: SAUER SPA MOLLER CK KOCH H PAIDAROVA I SPIRKO V
Citation: Spa. Sauer et al., THE VIBRATIONAL AND TEMPERATURE-DEPENDENCE OF THE INDIRECT NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF THE OXONIUM (H3O-) IONS() AND HYDROXYL (OH), Chemical physics, 238(3), 1998, pp. 385-399
CALCULATED SPIN-SPIN COUPLING SURFACES IN THE WATER MOLECULE - PREDICTION AND ANALYSIS OF J(O, H), J(O, D) AND J(H, D) IN WATER ISOTOPOMERS
Authors: WIGGLESWORTH RD RAYNES WT SAUER SPA ODDERSHEDE J
Citation: Rd. Wigglesworth et al., CALCULATED SPIN-SPIN COUPLING SURFACES IN THE WATER MOLECULE - PREDICTION AND ANALYSIS OF J(O, H), J(O, D) AND J(H, D) IN WATER ISOTOPOMERS, Molecular physics, 94(5), 1998, pp. 851-862
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
2ND-ORDER POLARIZATION PROPAGATOR APPROXIMATION WITH COUPLED-CLUSTER SINGLES AND DOUBLES AMPLITUDES - SOPPA(CCSD) - THE POLARIZABILITY AND HYPERPOLARIZABILITY OF LI-
Authors: SAUER SPA
Citation: Spa. Sauer, 2ND-ORDER POLARIZATION PROPAGATOR APPROXIMATION WITH COUPLED-CLUSTER SINGLES AND DOUBLES AMPLITUDES - SOPPA(CCSD) - THE POLARIZABILITY AND HYPERPOLARIZABILITY OF LI-, Journal of physics. B, Atomic molecular and optical physics, 30(17), 1997, pp. 3773-3780
THE VIBRATIONAL DEPENDENCE OF THE HYDROGEN AND OXYGEN NUCLEAR MAGNETIC SHIELDING CONSTANTS IN OH- AND OH-CENTER-DOT-H2O
Authors: SAUER SPA SPIRKO V PAIDAROVA I KRAEMER WP
Citation: Spa. Sauer et al., THE VIBRATIONAL DEPENDENCE OF THE HYDROGEN AND OXYGEN NUCLEAR MAGNETIC SHIELDING CONSTANTS IN OH- AND OH-CENTER-DOT-H2O, Chemical physics, 214(1), 1997, pp. 91-101
THE CALCULATION AND ANALYSIS OF ISOTOPE EFFECTS ON THE NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF METHANE AT VARIOUS TEMPERATURES
Authors: WIGGLESWORTH RD RAYNES WT SAUER SPA ODDERSHEDE J
Citation: Rd. Wigglesworth et al., THE CALCULATION AND ANALYSIS OF ISOTOPE EFFECTS ON THE NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF METHANE AT VARIOUS TEMPERATURES, Molecular physics, 92(1), 1997, pp. 77-88
THEORETICAL CALCULATIONS OF THE HYPERFINE-STRUCTURE IN THE SPECTRA OFH-3(+) AND ITS DEUTERATED ISOTOPOMERS
Authors: JENSEN P PAIDAROVA I SPIRKO V SAUER SPA
Citation: P. Jensen et al., THEORETICAL CALCULATIONS OF THE HYPERFINE-STRUCTURE IN THE SPECTRA OFH-3(+) AND ITS DEUTERATED ISOTOPOMERS, Molecular physics, 91(2), 1997, pp. 319-332
CALCULATION, WITH THE INCLUSION OF VIBRATIONAL CORRECTIONS, OF THE DC-ELECTRIC-FIELD-INDUCED 2ND-HARMONIC-GENERATION HYPERPOLARIZABILITY OFMETHANE
Authors: BISHOP DM SAUER SPA
Citation: Dm. Bishop et Spa. Sauer, CALCULATION, WITH THE INCLUSION OF VIBRATIONAL CORRECTIONS, OF THE DC-ELECTRIC-FIELD-INDUCED 2ND-HARMONIC-GENERATION HYPERPOLARIZABILITY OFMETHANE, The Journal of chemical physics, 107(20), 1997, pp. 8502-8509
THEORETICAL ESTIMATES OF THE ROTATIONAL G-FACTOR, MAGNETIZABILITY ANDELECTRIC-DIPOLE MOMENT OF GAH
Authors: SAUER SPA
Citation: Spa. Sauer, THEORETICAL ESTIMATES OF THE ROTATIONAL G-FACTOR, MAGNETIZABILITY ANDELECTRIC-DIPOLE MOMENT OF GAH, Chemical physics letters, 260(1-2), 1996, pp. 271-279
CALCULATIONS OF MAGNETIC HYPERFINE-STRUCTURE CONSTANTS FOR THE LOW-LYING ROVIBRATIONAL LEVELS OF LIH, HF, CH+, AND BH
Authors: SAUER SPA PAIDAROVA I
Citation: Spa. Sauer et I. Paidarova, CALCULATIONS OF MAGNETIC HYPERFINE-STRUCTURE CONSTANTS FOR THE LOW-LYING ROVIBRATIONAL LEVELS OF LIH, HF, CH+, AND BH, Chemical physics, 201(2-3), 1995, pp. 405-425
CALCULATED MOLECULAR MEAN EXCITATION-ENERGIES FOR SOME SMALL MOLECULES
Authors: SAUER SPA SABIN JR ODDERSHEDE J
Citation: Spa. Sauer et al., CALCULATED MOLECULAR MEAN EXCITATION-ENERGIES FOR SOME SMALL MOLECULES, Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 100(4), 1995, pp. 458-463
THE VIBRATIONAL AND TEMPERATURE-DEPENDENCE OF THE MAGNETIC-PROPERTIESOF THE OXONIUM ION (H3O+)
Authors: SAUER SPA SPIRKO V PAIDAROVA I ODDERSHEDE J
Citation: Spa. Sauer et al., THE VIBRATIONAL AND TEMPERATURE-DEPENDENCE OF THE MAGNETIC-PROPERTIESOF THE OXONIUM ION (H3O+), Chemical physics, 184(1-3), 1994, pp. 1-11
CORRELATED DIPOLE POLARIZABILITIES AND DIPOLE-MOMENTS OF THE HALIDES HX AND CH3X (X=F, CL AND BR)
Authors: PACKER MJ DALSKOV EK SAUER SPA ODDERSHEDE J
Citation: Mj. Packer et al., CORRELATED DIPOLE POLARIZABILITIES AND DIPOLE-MOMENTS OF THE HALIDES HX AND CH3X (X=F, CL AND BR), Theoretica Chimica Acta, 89(5-6), 1994, pp. 323-333
CORRELATED AND GAUGE ORIGIN INDEPENDENT CALCULATIONS OF MAGNETIC-PROPERTIES .2. SHIELDING CONSTANTS OF SIMPLE SINGLY BONDED MOLECULES
Authors: SAUER SPA PAIDAROVA I ODDERSHEDE J
Citation: Spa. Sauer et al., CORRELATED AND GAUGE ORIGIN INDEPENDENT CALCULATIONS OF MAGNETIC-PROPERTIES .2. SHIELDING CONSTANTS OF SIMPLE SINGLY BONDED MOLECULES, Theoretica Chimica Acta, 88(5), 1994, pp. 351-361
CORRELATED AND GAUGE ORIGIN INDEPENDENT CALCULATIONS OF MAGNETIC-PROPERTIES .1. TRIPLY BONDED MOLECULES
Authors: SAUER SPA PAIDAROVA I ODDERSHEDE J
Citation: Spa. Sauer et al., CORRELATED AND GAUGE ORIGIN INDEPENDENT CALCULATIONS OF MAGNETIC-PROPERTIES .1. TRIPLY BONDED MOLECULES, Molecular physics, 81(1), 1994, pp. 87-118
EXPERIMENTAL AND THEORETICAL ESTIMATES OF THE ROTATIONAL G-FACTOR OF ALH IN THE ELECTRONIC GROUND-STATE X(1)SIGMA(+)
Authors: SAUER SPA OGILVIE JF
Citation: Spa. Sauer et Jf. Ogilvie, EXPERIMENTAL AND THEORETICAL ESTIMATES OF THE ROTATIONAL G-FACTOR OF ALH IN THE ELECTRONIC GROUND-STATE X(1)SIGMA(+), Journal of physical chemistry, 98(35), 1994, pp. 8617-8621
CORRELATED DIPOLE OSCILLATOR SUM-RULES
Authors: PACKER MJ SAUER SPA ODDERSHEDE J
Citation: Mj. Packer et al., CORRELATED DIPOLE OSCILLATOR SUM-RULES, The Journal of chemical physics, 100(12), 1994, pp. 8969-8975
CORRELATED POLARIZATION PROPAGATOR CALCULATIONS OF STATIC POLARIZABILITIES
Authors: SAUER SPA ODDERSHEDE J
Citation: Spa. Sauer et J. Oddershede, CORRELATED POLARIZATION PROPAGATOR CALCULATIONS OF STATIC POLARIZABILITIES, International journal of quantum chemistry, 50(5), 1994, pp. 317-332
EVALUATION OF ADIABATIC AND NONADIABATIC EFFECTS FROM VIBRATION-ROTATIONAL SPECTRA OF LIH CHI (1)SIGMA(+)
Authors: OGILVIE JF ODDERSHEDE J SAUER SPA
Citation: Jf. Ogilvie et al., EVALUATION OF ADIABATIC AND NONADIABATIC EFFECTS FROM VIBRATION-ROTATIONAL SPECTRA OF LIH CHI (1)SIGMA(+), Chemical physics letters, 228(1-3), 1994, pp. 183-190
PARAMAGNETISM OF CLOSED-SHELL DIATOMIC HYDRIDES WITH 6 VALENCE-ELECTRONS
Authors: SAUER SPA ENEVOLDSEN T ODDERSHEDE J
Citation: Spa. Sauer et al., PARAMAGNETISM OF CLOSED-SHELL DIATOMIC HYDRIDES WITH 6 VALENCE-ELECTRONS, The Journal of chemical physics, 98(12), 1993, pp. 9748-9757
A SUM-OVER-STATES FORMULATION OF THE DIAMAGNETIC CONTRIBUTION TO THE INDIRECT NUCLEAR SPIN-SPIN COUPLING-CONSTANT
Authors: SAUER SPA
Citation: Spa. Sauer, A SUM-OVER-STATES FORMULATION OF THE DIAMAGNETIC CONTRIBUTION TO THE INDIRECT NUCLEAR SPIN-SPIN COUPLING-CONSTANT, The Journal of chemical physics, 98(11), 1993, pp. 9220-9221
Risultati: 1-22 |