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Results: 1-9 |
Results: 9
MAKING INDUSTRIAL DECISIONS WITH COMPUTATIONAL CHEMISTRY
Authors: GOLAB JT
Citation: Jt. Golab, MAKING INDUSTRIAL DECISIONS WITH COMPUTATIONAL CHEMISTRY, Chemtech, 28(4), 1998, pp. 17-23
LOW-LYING IONIZATION-POTENTIALS OF O-3 AND NO2 USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD
Authors: MCKELLAR AJ YEAGER DL NICHOLS JA GOLAB JT
Citation: Aj. Mckellar et al., LOW-LYING IONIZATION-POTENTIALS OF O-3 AND NO2 USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD, The Journal of chemical physics, 105(22), 1996, pp. 9927-9932
COMPARISON OF PERTURBATIVE AND MULTICONFIGURATIONAL ELECTRON PROPAGATOR METHODS
Authors: ZAKRZEWSKI VG ORTIZ JV NICHOLS JA HERYADI D YEAGER DL GOLAB JT
Citation: Vg. Zakrzewski et al., COMPARISON OF PERTURBATIVE AND MULTICONFIGURATIONAL ELECTRON PROPAGATOR METHODS, International journal of quantum chemistry, 60(1), 1996, pp. 29-36
THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP) - COMPARISON WITH EXTENDED KOOPMANS THEOREM RESULTS
Authors: HERYADI D YEAGER DL GOLAB JT NICHOLS JA
Citation: D. Heryadi et al., THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD (MCSTEP) - COMPARISON WITH EXTENDED KOOPMANS THEOREM RESULTS, Theoretica Chimica Acta, 90(5-6), 1995, pp. 273-290
MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR VERTICAL IONIZATION-POTENTIALS FOR O-2 - COMPARISON TO SOME OTHER FOREFRONT METHODS USING THE SAME BASIS-SETS AND GEOMETRIES
Authors: HERYADI D YEAGER DL GOLAB JT NICHOLS JA
Citation: D. Heryadi et al., MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR VERTICAL IONIZATION-POTENTIALS FOR O-2 - COMPARISON TO SOME OTHER FOREFRONT METHODS USING THE SAME BASIS-SETS AND GEOMETRIES, The Journal of chemical physics, 102(23), 1995, pp. 9444-9445
THE POTENTIAL-ENERGY CURVES OF THE X(2)PI(G), A(4)PI(U), A(2)PI(U), B(4)SIGMA(-)(G), B(2)SIGMA(-)(G), (2)PI(U), AND C(4)SIGMA(-)(U) STATES OF O-2(+) OBTAINED USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRONPROPAGATOR METHOD
Authors: YEAGER DL NICHOLS JA GOLAB JT
Citation: Dl. Yeager et al., THE POTENTIAL-ENERGY CURVES OF THE X(2)PI(G), A(4)PI(U), A(2)PI(U), B(4)SIGMA(-)(G), B(2)SIGMA(-)(G), (2)PI(U), AND C(4)SIGMA(-)(U) STATES OF O-2(+) OBTAINED USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRONPROPAGATOR METHOD, The Journal of chemical physics, 100(9), 1994, pp. 6514-6519
IONIZATION-POTENTIALS OF CH2 - A COMPARISON OF THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD WITH BENCHMARK FULL CONFIGURATION-INTERACTION AND LARGE-SCALE MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS
Authors: NICHOLS JA HERYADI D YEAGER DL GOLAB JT
Citation: Ja. Nichols et al., IONIZATION-POTENTIALS OF CH2 - A COMPARISON OF THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATOR METHOD WITH BENCHMARK FULL CONFIGURATION-INTERACTION AND LARGE-SCALE MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS, The Journal of chemical physics, 100(4), 1994, pp. 2947-2952
IMPLEMENTATION OF THE DIRECT SCF AND RPA METHODS ON LOOSELY-COUPLED NETWORKS OF WORKSTATIONS
Authors: FEYEREISEN MW KENDALL RA NICHOLS J DAME D GOLAB JT
Citation: Mw. Feyereisen et al., IMPLEMENTATION OF THE DIRECT SCF AND RPA METHODS ON LOOSELY-COUPLED NETWORKS OF WORKSTATIONS, Journal of computational chemistry, 14(7), 1993, pp. 818-830
THE DETERMINATION OF ELECTRON-AFFINITIES OF THE OPEN-SHELL SYSTEMS C AND CH2 USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATORMETHOD
Authors: YEAGER DL NICHOLS JA GOLAB JT
Citation: Dl. Yeager et al., THE DETERMINATION OF ELECTRON-AFFINITIES OF THE OPEN-SHELL SYSTEMS C AND CH2 USING THE MULTICONFIGURATIONAL SPIN TENSOR ELECTRON PROPAGATORMETHOD, The Journal of chemical physics, 98(11), 1993, pp. 8790-8800
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