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Results: 1-25/53
Authors:
CHRISTIANSEN O
HATTIG C
GAUSS J
Citation: O. Christiansen et al., POLARIZABILITIES OF CO, N-2, HF, NE, BH, AND CH-INITIO CALCULATIONS -SYSTEMATIC STUDIES OF ELECTRON CORRELATION, BASIS-SET ERRORS, AND VIBRATIONAL CONTRIBUTIONS( FROM AB), The Journal of chemical physics, 109(12), 1998, pp. 4745-4757
Authors:
STANTON JF
GAUSS J
Citation: Jf. Stanton et J. Gauss, ANHARMONICITY IN THE RING STRETCHING MODES OF DIBORANE, The Journal of chemical physics, 108(22), 1998, pp. 9218-9220
Authors:
KOLLWITZ M
HASER M
GAUSS J
Citation: M. Kollwitz et al., NON-ABELIAN POINT GROUP SYMMETRY IN DIRECT 2ND-ORDER MANY-BODY PERTURBATION-THEORY CALCULATIONS OF NMR CHEMICAL-SHIFTS, The Journal of chemical physics, 108(20), 1998, pp. 8295-8301
Authors:
STANTON JF
LOPREORE CL
GAUSS J
Citation: Jf. Stanton et al., THE EQUILIBRIUM STRUCTURE AND FUNDAMENTAL VIBRATIONAL FREQUENCIES OF DIOXIRANE, The Journal of chemical physics, 108(17), 1998, pp. 7190-7196
Authors:
CHRISTIANSEN O
STANTON JF
GAUSS J
Citation: O. Christiansen et al., A COUPLED-CLUSTER STUDY OF THE 1(1)A(1G) AND 1B-1(2U) STATES OF BENZENE, The Journal of chemical physics, 108(10), 1998, pp. 3987-4001
Authors:
GAUSS J
CHRISTIANSEN O
STANTON JF
Citation: J. Gauss et al., TRIPLE EXCITATION EFFECTS IN COUPLED-CLUSTER CALCULATIONS OF FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES, Chemical physics letters, 296(1-2), 1998, pp. 117-124
Authors:
CHRISTIANSEN O
GAUSS J
STANTON JF
Citation: O. Christiansen et al., THE EFFECT OF TRIPLE EXCITATIONS IN COUPLED-CLUSTER CALCULATIONS OF FREQUENCY-DEPENDENT POLARIZABILITIES, Chemical physics letters, 292(4-6), 1998, pp. 437-446
Authors:
STANTON JF
GAUSS J
Citation: Jf. Stanton et J. Gauss, THEORETICAL-STUDY OF ELECTRONICALLY EXCITED CIS-GLYOXAL AND TRANS-GLYOXAL, SPECT ACT A, 53(8), 1997, pp. 1153-1162
Authors:
GAUSS J
STANTON JF
Citation: J. Gauss et Jf. Stanton, ELECTRON CORRELATION-EFFECTS ON THE CALCULATED C-13 NMR-SPECTRA OF VINYL CATIONS, Journal of molecular structure. Theochem, 398, 1997, pp. 73-80
Authors:
STANTON JF
GAUSS J
Citation: Jf. Stanton et J. Gauss, A SIMPLE CORRECTION TO FINAL-STATE ENERGIES OF DOUBLET RADICALS DESCRIBED BY EQUATION-OF-MOTION COUPLED-CLUSTER THEORY IN THE SINGLES AND DOUBLES APPROXIMATION (VOL 93, PG 303, 1996), Theoretica Chimica Acta, 95(3-4), 1997, pp. 97-98
Authors:
SUNDHOLM D
GAUSS J
Citation: D. Sundholm et J. Gauss, ISOTOPE AND TEMPERATURE EFFECTS ON NUCLEAR MAGNETIC SHIELDINGS AND SPIN-ROTATION CONSTANTS CALCULATED AT THE COUPLED-CLUSTER LEVEL, Molecular physics, 92(6), 1997, pp. 1007-1014
Authors:
GAUSS J
SUNDHOLM D
Citation: J. Gauss et D. Sundholm, COUPLED-CLUSTER CALCULATIONS OF SPIN-ROTATION CONSTANTS, Molecular physics, 91(3), 1997, pp. 449-458
Authors:
SZALAY PG
GAUSS J
Citation: Pg. Szalay et J. Gauss, SPIN-RESTRICTED OPEN-SHELL COUPLED-CLUSTER THEORY, The Journal of chemical physics, 107(21), 1997, pp. 9028-9038
Authors:
HAMPE O
KORETSKY GM
GEGENHEIMER M
HUBER C
KAPPES MM
GAUSS J
Citation: O. Hampe et al., ON THE GROUND AND ELECTRONICALLY EXCITED-STATES OF NA3O - THEORY AND EXPERIMENT, The Journal of chemical physics, 107(18), 1997, pp. 7085-7095
Authors:
FERNANDEZ B
CHRISTIANSEN O
JORGENSEN P
BYBERG J
GAUSS J
RUUD K
Citation: B. Fernandez et al., HYPERFINE AND NUCLEAR-QUADRUPOLE COUPLING IN CHLORINE AND FLUORINE DIOXIDES, The Journal of chemical physics, 106(5), 1997, pp. 1847-1855
Authors:
HELGAKER T
GAUSS J
JORGENSEN P
OLSEN J
Citation: T. Helgaker et al., THE PREDICTION OF MOLECULAR EQUILIBRIUM STRUCTURES BY THE STANDARD ELECTRONIC WAVE-FUNCTIONS, The Journal of chemical physics, 106(15), 1997, pp. 6430-6440
Authors:
GAUSS J
STANTON JF
Citation: J. Gauss et Jf. Stanton, ANALYTIC CCSD(T) 2ND-DERIVATIVE, Chemical physics letters, 276(1-2), 1997, pp. 70-77
Authors:
HALKIER A
JORGENSEN P
GAUSS J
HELGAKER T
Citation: A. Halkier et al., CCSDT CALCULATIONS OF MOLECULAR EQUILIBRIUM GEOMETRIES, Chemical physics letters, 274(1-3), 1997, pp. 235-241
Authors:
CHRISTIANSEN O
GAUSS J
STANTON JF
Citation: O. Christiansen et al., NUCLEAR MAGNETIC SHIELDING CONSTANTS IN THE CC2 MODEL, Chemical physics letters, 266(1-2), 1997, pp. 53-60
Authors:
SEBURG RA
MCMAHON RJ
STANTON JF
GAUSS J
Citation: Ra. Seburg et al., STRUCTURES AND STABILITIES OF C5H2 ISOMERS - QUANTUM-CHEMICAL STUDIES, Journal of the American Chemical Society, 119(44), 1997, pp. 10838-10845
Authors:
GAUSS J
RUUD K
HELGAKER T
Citation: J. Gauss et al., PERTURBATION-DEPENDENT ATOMIC ORBITALS FOR THE CALCULATION OF SPIN-ROTATION CONSTANTS AND ROTATIONAL G-TENSORS, The Journal of chemical physics, 105(7), 1996, pp. 2804-2812
Authors:
SUNDHOLM D
GAUSS J
SCHAFER A
Citation: D. Sundholm et al., ROVIBRATIONALLY AVERAGED NUCLEAR MAGNETIC SHIELDING TENSORS CALCULATED AT THE COUPLED-CLUSTER LEVEL, The Journal of chemical physics, 105(24), 1996, pp. 11051-11059
Authors:
GAUSS J
STANTON JF
Citation: J. Gauss et Jf. Stanton, PERTURBATIVE TREATMENT OF TRIPLE EXCITATIONS IN COUPLED-CLUSTER CALCULATIONS OF NUCLEAR MAGNETIC SHIELDING CONSTANTS, The Journal of chemical physics, 104(7), 1996, pp. 2574-2583
Authors:
STANTON JF
GAUSS J
Citation: Jf. Stanton et J. Gauss, THE FIRST EXCITED SINGLET-STATE OF S-TETRAZINE - A THEORETICAL-ANALYSIS OF SOME OUTSTANDING QUESTIONS, The Journal of chemical physics, 104(24), 1996, pp. 9859-9869
Authors:
SHERRILL CD
VACEK G
YAMAGUCHI Y
SCHAEFER HF
STANTON JF
GAUSS J
Citation: Cd. Sherrill et al., THE (A)OVER-TILDE-(1)A(U) STATE AND THE T-2 POTENTIAL SURFACE OF ACETYLENE - IMPLICATIONS FOR TRIPLET PERTURBATIONS IN THE FLUORESCENCE-SPECTRA OF THE (A)OVER-TILDE STATE, The Journal of chemical physics, 104(21), 1996, pp. 8507-8515