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Results: 1-25 | 26-50 | 51-63 |
Results: 51-63/63
Gradients for the similarity transformed equation-of-motion coupled-cluster method
Authors: Gwaltney, SR Bartlett, RJ Nooijen, M
Citation: Sr. Gwaltney et al., Gradients for the similarity transformed equation-of-motion coupled-cluster method, J CHEM PHYS, 111(1), 1999, pp. 58-64
Structure and stability of the AlX and AlX- species
Authors: Gutsev, GL Jena, P Bartlett, RJ
Citation: Gl. Gutsev et al., Structure and stability of the AlX and AlX- species, J CHEM PHYS, 110(6), 1999, pp. 2928-2935
Connected quadruples for the frequencies of O-3
Authors: Kucharski, SA Bartlett, RJ
Citation: Sa. Kucharski et Rj. Bartlett, Connected quadruples for the frequencies of O-3, J CHEM PHYS, 110(17), 1999, pp. 8233-8235
Unraveling the mysteries of metastable O-4
Authors: Peterka, DS Ahmed, M Suits, AG Wilson, KJ Korkin, A Nooijen, M Bartlett, RJ
Citation: Ds. Peterka et al., Unraveling the mysteries of metastable O-4, J CHEM PHYS, 110(13), 1999, pp. 6095-6098
Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches
Authors: Piecuch, P Kucharski, SA Bartlett, RJ
Citation: P. Piecuch et al., Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches, J CHEM PHYS, 110(13), 1999, pp. 6103-6122
Does N-2(-) exist? A coupled-cluster study
Authors: Gutsev, GL Rozyczko, PB Bartlett, RJ Weatherford, CA
Citation: Gl. Gutsev et al., Does N-2(-) exist? A coupled-cluster study, J CHEM PHYS, 110(11), 1999, pp. 5137-5139
Gradients for the partitioned equation-of-motion coupled-cluster method
Authors: Gwaltney, SR Bartlett, RJ
Citation: Sr. Gwaltney et Rj. Bartlett, Gradients for the partitioned equation-of-motion coupled-cluster method, J CHEM PHYS, 110(1), 1999, pp. 62-71
Thermodynamical stability of CH3ONO and CH3ONO-: A coupled-cluster and Hartree-Fock-density-functional-theory study
Authors: Gutsev, GL Jena, P Bartlett, RJ
Citation: Gl. Gutsev et al., Thermodynamical stability of CH3ONO and CH3ONO-: A coupled-cluster and Hartree-Fock-density-functional-theory study, J CHEM PHYS, 110(1), 1999, pp. 403-411
Light-induced oxidation of aqueous chromium(III) in the presence of iron(III)
Authors: Zhang, H Bartlett, RJ
Citation: H. Zhang et Rj. Bartlett, Light-induced oxidation of aqueous chromium(III) in the presence of iron(III), ENV SCI TEC, 33(4), 1999, pp. 588-594
Coupled-cluster calculations of Raman intensities and their application toN-4 and N-5(-)
Authors: Perera, SA Bartlett, RJ
Citation: Sa. Perera et Rj. Bartlett, Coupled-cluster calculations of Raman intensities and their application toN-4 and N-5(-), CHEM P LETT, 314(3-4), 1999, pp. 381-387
Connections between the correlation potential and the static correlation kernel for two-electron densities in high-density limit
Authors: Ivanov, S Bartlett, RJ
Citation: S. Ivanov et Rj. Bartlett, Connections between the correlation potential and the static correlation kernel for two-electron densities in high-density limit, CHEM P LETT, 308(5-6), 1999, pp. 449-455
Geometry and harmonic frequency of N-2 with coupled cluster methods that include connected quadruple excitations
Authors: Kucharski, SA Watts, JD Bartlett, RJ
Citation: Sa. Kucharski et al., Geometry and harmonic frequency of N-2 with coupled cluster methods that include connected quadruple excitations, CHEM P LETT, 302(3-4), 1999, pp. 295-301
Two thermodynamically stable states in SiO- and PN-
Authors: Gutsev, GL Jena, P Bartlett, RJ
Citation: Gl. Gutsev et al., Two thermodynamically stable states in SiO- and PN-, PHYS REV A, 58(6), 1998, pp. 4972-4974
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