메뉴 건너뛰기




Volumn 15, Issue 2, 2009, Pages 315-324

Oxygen-containing diatomic dications in the gas phase

Author keywords

Ab initio calculations; Diatomic dications; Electronic structure determination; Mass spectrometry; Metastable gas phase molecules; Oxygen ion beam sputtering

Indexed keywords


EID: 65349140744     PISSN: 14690667     EISSN: None     Source Type: Journal    
DOI: 10.1255/ejms.972     Document Type: Article
Times cited : (31)

References (76)
  • 1
    • 36149010559 scopus 로고    scopus 로고
    • A.L. Vaughan, Mass spectrograph analyses and critical potentials for the production of ions by electron impact, in nitrogen and carbon monoxide, Phys. Rev. 38, 1687 19311. doi: 10.1103/PhysRev.38.1687
    • A.L. Vaughan, "Mass spectrograph analyses and critical potentials for the production of ions by electron impact, in nitrogen and carbon monoxide", Phys. Rev. 38, 1687 (19311. doi: 10.1103/PhysRev.38.1687
  • 2
    • 36849127619 scopus 로고    scopus 로고
    • Double and triple ionization in molecules induced by electron impact
    • doi: 10.1063/1.1731972
    • [a] F.H. Dorman and J.D. Morrison, "Double and triple ionization in molecules induced by electron impact", J. Chem. Phys. 35, 575 11961); doi: 10.1063/1.1731972
    • J. Chem. Phys , vol.35 , pp. 575-11961
    • Dorman, F.H.1    Morrison, J.D.2
  • 3
    • 36849119267 scopus 로고    scopus 로고
    • F.H. Dorman and J.D. Morrison, Erratum: Double and triple ionization in molecules induced by electron impact, J. Chem. Phys. 36, 2808 19621. doi: 10.1063/1.1732375
    • [b] F.H. Dorman and J.D. Morrison, "Erratum: Double and triple ionization in molecules induced by electron impact", J. Chem. Phys. 36, 2808 (19621. doi: 10.1063/1.1732375
  • 4
    • 0014865319 scopus 로고    scopus 로고
    • Atom-probe FIM analysis of the interaction of the imaging gas with the surface
    • 19701. doi: 10.1016/0039-602870190008-7
    • E.W. Müller, S.V. Krishnaswamy and S.B. McLane, "Atom-probe FIM analysis of the interaction of the imaging gas with the surface", Surf. Sci. 23, 112 (19701. doi: 10.1016/0039-6028(70190008-7
    • Surf. Sci , vol.23 , pp. 112
    • Müller, E.W.1    Krishnaswamy, S.V.2    McLane, S.B.3
  • 5
    • 0002764507 scopus 로고
    • Field ion microscopy, field ionization and field evaporation
    • doi: 10.1016/0079-681673190001-4
    • E.W. Muller and T.T. Tsong, "Field ion microscopy, field ionization and field evaporation", Progr. Surf. Sci. 4, 1 (1973). doi: 10.1016/0079-6816(73190001-4
    • (1973) Progr. Surf. Sci , vol.4 , pp. 1
    • Muller, E.W.1    Tsong, T.T.2
  • 6
    • 33947293179 scopus 로고
    • Decomposition of metastable diatomic doubly charged positive ions
    • doi: 10.1021/ja00737a003
    • (a) J.H. Beynon, R.M. Caprioli and J.W. Richardson, "Decomposition of metastable diatomic doubly charged positive ions", J. Am. Chem. Soc. 93, 1852 (1971); doi: 10.1021/ja00737a003
    • (1971) J. Am. Chem. Soc , vol.93 , pp. 1852
    • Beynon, J.H.1    Caprioli, R.M.2    Richardson, J.W.3
  • 7
    • 0006008557 scopus 로고
    • The dependence of double-ionization energies of diatomic neutral species on the atomic ionization energies
    • doi: 10.1016/0009-2614(83)87404-1
    • (b) M. Rabrenovic, F.M. Harris, G.A. Keenan and J.H. Beynon, "The dependence of double-ionization energies of diatomic neutral species on the atomic ionization energies", Chem. Phys. Lett. 102, 263 (1983). doi: 10.1016/0009-2614(83)87404-1
    • (1983) Chem. Phys. Lett , vol.102 , pp. 263
    • Rabrenovic, M.1    Harris, F.M.2    Keenan, G.A.3    Beynon, J.H.4
  • 8
    • 25144467169 scopus 로고
    • Häufigkeitsverteilungen von einfach und doppelt positiv geladenen Molekiïlionen ausgewählter chemischer Elemente im Funkenplasma
    • doi: 10.1016/0020-7381(83)85016-5
    • S. Becker and H.J. Dietze, "Häufigkeitsverteilungen von einfach und doppelt positiv geladenen Molekiïlionen ausgewählter chemischer Elemente im Funkenplasma", Int. J. Mass Spectrom. Ion Phys. 51, 325 (1983). doi: 10.1016/0020-7381(83)85016-5
    • (1983) Int. J. Mass Spectrom. Ion Phys , vol.51 , pp. 325
    • Becker, S.1    Dietze, H.J.2
  • 9
    • 33748720749 scopus 로고    scopus 로고
    • Interactions of molecular doubly charged ions with atoms, molecules and photons
    • doi: 10.1039/a700808b
    • (a) S.D. Price, "Interactions of molecular doubly charged ions with atoms, molecules and photons", J. Chem. Soc, Faraday Trans. 93, 2451 (1997); doi: 10.1039/a700808b
    • (1997) J. Chem. Soc, Faraday Trans , vol.93 , pp. 2451
    • Price, S.D.1
  • 10
    • 0037693090 scopus 로고    scopus 로고
    • Investigating the gas-phase chemical reactions of molecular dications
    • doi: 10.1039/b301957h
    • (b) S.D. Price, "Investigating the gas-phase chemical reactions of molecular dications", Phys. Chem. Chem. Phys. 5, 1717 (2003). doi: 10.1039/b301957h
    • (2003) Phys. Chem. Chem. Phys , vol.5 , pp. 1717
    • Price, S.D.1
  • 11
    • 0040983025 scopus 로고    scopus 로고
    • Generation, stability, and reactivity of small, multiply charged ions in the gas phase
    • doi: 10.1021/ jp991332x
    • (a) D. Schröder and H. Schwarz, "Generation, stability, and reactivity of small, multiply charged ions in the gas phase", J. Phys. Chem. A 103, 7385 (1999); doi: 10.1021/ jp991332x
    • (1999) J. Phys. Chem. A , vol.103 , pp. 7385
    • Schröder, D.1    Schwarz, H.2
  • 13
    • 0742320156 scopus 로고    scopus 로고
    • Structure and dynamics of molecules in high charge states
    • doi: 10.1016/j. physrep.2003.10.016
    • D. Mathur, "Structure and dynamics of molecules in high charge states", Phys. Rep. 391, 1 (2004). doi: 10.1016/j. physrep.2003.10.016
    • (2004) Phys. Rep , vol.391 , pp. 1
    • Mathur, D.1
  • 15
    • 78650131919 scopus 로고    scopus 로고
    • 3+[ J Chem. Phys. 121, 12293 (2004)], J. Chem. Phys. 123, 209901 (2005). doi: 10.1063/1.2135774
    • 3+[ J Chem. Phys. 121, 12293 (2004)]", J. Chem. Phys. 123, 209901 (2005). doi: 10.1063/1.2135774
  • 16
    • 0002710631 scopus 로고
    • 2
    • doi: 10.1063/1.1749219
    • 2, J. Chem. Phys. 1, 56 (1933). doi: 10.1063/1.1749219
    • (1933) J. Chem. Phys , vol.1 , pp. 56
    • Pauling, L.1
  • 17
    • 0010800083 scopus 로고
    • Doubly charged diatomic molecular ions
    • doi: 10.1088/0370-1298/68/12/417
    • (a) D.R. Bates and T.R. Carson, "Doubly charged diatomic molecular ions", Proc. Phys. Soc. London A 68, 1199 [1955); doi: 10.1088/0370-1298/68/12/417
    • (1955) Proc. Phys. Soc. London A , vol.68 , pp. 1199
    • Bates, D.R.1    Carson, T.R.2
  • 18
    • 0000356397 scopus 로고
    • Potential curves for doubly positive diatomic ions
    • doi: 10.1063/1.1731793
    • (b) A.C. Hurley and V.W. Maslen, "Potential curves for doubly positive diatomic ions", J. Chem. Phys. 34, 1919 (1961); doi: 10.1063/1.1731793
    • (1961) J. Chem. Phys , vol.34 , pp. 1919
    • Hurley, A.C.1    Maslen, V.W.2
  • 19
    • 0002696473 scopus 로고    scopus 로고
    • 2, J. Mol. Spectrosc. 9, 18 [1962. doi: 10.1016/0022 - 2852(62)90209-6
    • 2, J. Mol. Spectrosc. 9, 18 [1962). doi: 10.1016/0022 - 2852(62)90209-6
  • 20
    • 3843105532 scopus 로고
    • Stability of doubly charged transition-metal dimers
    • doi: 10.1103/PhysRevLett.59.2562
    • (a) F. Liu, M.R. Press, S.N. Khanna and P. Jena, "Stability of doubly charged transition-metal dimers", Phys. Rev. Lett. 59, 2562 (1987); doi: 10.1103/PhysRevLett.59.2562
    • (1987) Phys. Rev. Lett , vol.59 , pp. 2562
    • Liu, F.1    Press, M.R.2    Khanna, S.N.3    Jena, P.4
  • 21
    • 4243636848 scopus 로고
    • The ACDCP model for estimating the kinetic energy release and transition structure bond length in the fragmentation of a diatomic dication
    • doi: 10.1016/0009-2614(88)85086-3
    • (b) P.M.W. Gill and L. Radom, "The ACDCP model for estimating the kinetic energy release and transition structure bond length in the fragmentation of a diatomic dication", Chem. Phys. Lett. 147, 213 (1988); doi: 10.1016/0009-2614(88)85086-3
    • (1988) Chem. Phys. Lett , vol.147 , pp. 213
    • Gill, P.M.W.1    Radom, L.2
  • 22
    • 33751553145 scopus 로고
    • Isoelectronic analogs of phosphorus nitride: Remarkably stable multiply charged cations
    • doi: 10.1021/J100365a026
    • (c) M.W. Wong and L. Radom, "Isoelectronic analogs of phosphorus nitride: remarkably stable multiply charged cations", J. Phys. Chem. 94, 638 (1990). doi: 10.1021/J100365a026
    • (1990) J. Phys. Chem , vol.94 , pp. 638
    • Wong, M.W.1    Radom, L.2
  • 23
    • 26544450729 scopus 로고
    • Metastability of doubly charged transition-metal dimers in density-functional theory
    • doi: 10.1103/ PhysRevB.44.5881
    • (a) G. Ortiz and P. Ballone, "Metastability of doubly charged transition-metal dimers in density-functional theory", Phys. Rev. B 44, 5881 (1991); doi: 10.1103/ PhysRevB.44.5881
    • (1991) Phys. Rev. B , vol.44 , pp. 5881
    • Ortiz, G.1    Ballone, P.2
  • 24
    • 0000832425 scopus 로고    scopus 로고
    • Is the Gaussian-2 technique reliable for determining the energetics of small molecular dications?
    • doi: 10.1063/1.474660
    • (b) S. Petrie, "Is the Gaussian-2 technique reliable for determining the energetics of small molecular dications?", J. Chem. Phys. 107, 3042 (1997); doi: 10.1063/1.474660
    • (1997) J. Chem. Phys , vol.107 , pp. 3042
    • Petrie, S.1
  • 26
    • 3843100270 scopus 로고    scopus 로고
    • 2: A long-lived metastable dication
    • doi: 10.1016/j.cplett.2004.06.099
    • 2: A long-lived metastable dication", Chem. Phys. Lett. 394, 32 (2004); doi: 10.1016/j.cplett.2004.06.099
    • (2004) Chem. Phys. Lett , vol.394 , pp. 32
    • Hogreve, H.1
  • 27
    • 30344447292 scopus 로고    scopus 로고
    • Simple three-parameter model potential for diatomic systems: From weakly and strongly bound molecules to metastable molecular ions
    • doi: 10.1103/ PhysRevLett.95.263202
    • (e) R.-H. Xie and J. Gong, "Simple three-parameter model potential for diatomic systems: From weakly and strongly bound molecules to metastable molecular ions", Phys. Rev. Lett. 95, 263202 (2005). doi: 10.1103/ PhysRevLett.95.263202
    • (2005) Phys. Rev. Lett , vol.95 , pp. 263202
    • Xie, R.-H.1    Gong, J.2
  • 28
  • 31
    • 65349113566 scopus 로고    scopus 로고
    • - sputtering (unpublished results).
    • - sputtering (unpublished results).
  • 32
    • 0041351399 scopus 로고
    • The quantitative application of SIMS to cadmium mercury telluride
    • doi: 10.1016/0020-7381(83)80168-5
    • R. Holland and G.W. Blackmore, "The quantitative application of SIMS to cadmium mercury telluride", Int. J. Mass Spectrom. Ion Phys. 46, 527 (1983). doi: 10.1016/0020-7381(83)80168-5
    • (1983) Int. J. Mass Spectrom. Ion Phys , vol.46 , pp. 527
    • Holland, R.1    Blackmore, G.W.2
  • 33
    • 65349122840 scopus 로고    scopus 로고
    • 2+.]
    • 2+.]
  • 34
    • 0242664770 scopus 로고
    • Analysis of high purity arsenic by Spark-Source Mass Spectrometry
    • doi: 10.1016/0003-2670(86)80016-2
    • (a) X.D. Liu, J. Verlinden, F. Adams and E. Adriaenssens, "Analysis of high purity arsenic by Spark-Source Mass Spectrometry", Anal. Chim. Acta 180, 341 (1986); doi: 10.1016/0003-2670(86)80016-2
    • (1986) Anal. Chim. Acta , vol.180 , pp. 341
    • Liu, X.D.1    Verlinden, J.2    Adams, F.3    Adriaenssens, E.4
  • 35
    • 37049079207 scopus 로고
    • Applications of spark-source mass spectrometry in the analysis of semiconductor - materials-a review
    • doi: 10.1039/ja9860100411
    • (b) J. Verlinden, R. Gijbels and F. Adams, "Applications of spark-source mass spectrometry in the analysis of semiconductor - materials-a review", J. Anal. Atomic Spectrom. 1,411 (1986). doi: 10.1039/ja9860100411
    • (1986) J. Anal. Atomic Spectrom , vol.1 , pp. 411
    • Verlinden, J.1    Gijbels, R.2    Adams, F.3
  • 36
    • 36048933249 scopus 로고
    • Atom probe studies of the composition of low-temperature oxides on (100) silicon and gallium arsenide surfaces
    • doi: 10.1063/1.343185
    • C.R.M. Grovenor and A. Cerezo, "Atom probe studies of the composition of low-temperature oxides on (100) silicon and gallium arsenide surfaces", J. Appl. Phys. 65, 5089 (1989). doi: 10.1063/1.343185
    • (1989) J. Appl. Phys , vol.65 , pp. 5089
    • Grovenor, C.R.M.1    Cerezo, A.2
  • 37
    • 65349115814 scopus 로고    scopus 로고
    • 2+ [label in Figure 3 in Reference 22 does not appear to be supported by the Atom Probe data shown in Reference 22.
    • 2+ [label in Figure 3 in Reference 22) does not appear to be supported by the Atom Probe data shown in Reference 22.
  • 38
    • 49349121449 scopus 로고
    • Atom-probe field-ion microscopy of GaAs and GaP
    • doi: 10.1016/0039-6028(78)90186-3
    • Y. Ohno, T. Kuroda and S. Nakamura, "Atom-probe field-ion microscopy of GaAs and GaP", Surf. Sci. 75, 689 (1978). doi: 10.1016/0039-6028(78)90186-3
    • (1978) Surf. Sci , vol.75 , pp. 689
    • Ohno, Y.1    Kuroda, T.2    Nakamura, S.3
  • 39
    • 0020183120 scopus 로고
    • Field ion microscopy and pulsed laser atom-probe mass spectroscopy of insulating glasses
    • G.L. Kellogg, "Field ion microscopy and pulsed laser atom-probe mass spectroscopy of insulating glasses", J. Appl. Phys. 53, 6383 (1982)
    • (1982) J. Appl. Phys , vol.53 , pp. 6383
    • Kellogg, G.L.1
  • 40
    • 0026171930 scopus 로고
    • Composite thin-film characterization by atom probe field ion microscopy
    • doi: 10.1016/0304-399K9D90080-P
    • [b] A.J. Melmed and P.P. Camus, "Composite thin-film characterization by atom probe field ion microscopy", Ultramicroscopy 35, 277 (1991). doi: 10.1016/0304-399K9D90080-P
    • (1991) Ultramicroscopy , vol.35 , pp. 277
    • Melmed, A.J.1    Camus, P.P.2
  • 41
    • 65349129883 scopus 로고
    • An atom - probe study of passivated surface of a stainless steel
    • doi: 10.1051/jphyscol:1987668
    • (a) T. Yoshimura, Y. Koguchi, and Y. Ishikawa, "An atom - probe study of passivated surface of a stainless steel", Journal de Physique iColloquej 48, C6-417 (1987); doi: 10.1051/jphyscol:1987668
    • (1987) Journal de Physique iColloquej , vol.48
    • Yoshimura, T.1    Koguchi, Y.2    Ishikawa, Y.3
  • 42
    • 0026153626 scopus 로고    scopus 로고
    • D.G. Ren, Study of interface structure of the oxide grown on nickel alloys by AP-FIM, Appl. Surf. Sci. 48/49, 227 (1991); doi: 10.1016/0169 - 4332(91)90335-H
    • (b) D.G. Ren, "Study of interface structure of the oxide grown on nickel alloys by AP-FIM", Appl. Surf. Sci. 48/49, 227 (1991); doi: 10.1016/0169 - 4332(91)90335-H
  • 43
    • 0028383709 scopus 로고
    • POSAP analysis of the oxide-alloy interface in stainless steel
    • doi: 10.1016/0169-433219490352-2
    • (c) S. Ohkido, Y. Ishikawa and T. Yoshimura, "POSAP analysis of the oxide-alloy interface in stainless steel", Appl. Surf. Sci. 76/77, 261 (1994); doi: 10.1016/0169-4332194)90352-2
    • (1994) Appl. Surf. Sci , vol.76-77 , pp. 261
    • Ohkido, S.1    Ishikawa, Y.2    Yoshimura, T.3
  • 44
    • 84923117242 scopus 로고
    • Analysis of oxide film on stainless steel via position-sensitive atom probe
    • doi: 10.1116/1.579054
    • (d) T. Yoshimura, Y. Ishikawa and S. Ohkido, "Analysis of oxide film on stainless steel via position-sensitive atom probe", J. Vac. Sci. Technol. A 12, 2544 (1994). doi: 10.1116/1.579054
    • (1994) J. Vac. Sci. Technol. A , vol.12 , pp. 2544
    • Yoshimura, T.1    Ishikawa, Y.2    Ohkido, S.3
  • 45
    • 0041792704 scopus 로고
    • Beams of doubly ionized molecules from a tandem accelerator
    • doi: 10.1063/1.449123
    • (a) A. Galindo-Uribarri, H.W. Lee and K.H. Chang, "Beams of doubly ionized molecules from a tandem accelerator", J. Chem. Phys. 83, 3685 (1985); doi: 10.1063/1.449123
    • (1985) J. Chem. Phys , vol.83 , pp. 3685
    • Galindo-Uribarri, A.1    Lee, H.W.2    Chang, K.H.3
  • 46
    • 44949288235 scopus 로고    scopus 로고
    • 7Li, Nucl. Instrum. Meth. Phys. Res. B 52, 416 (1990). doi: 10.1016/0168 - 583X190)90448-4
    • 7Li", Nucl. Instrum. Meth. Phys. Res. B 52, 416 (1990). doi: 10.1016/0168 - 583X190)90448-4
  • 47
    • 0000654326 scopus 로고    scopus 로고
    • Redox properties of the diatomic bare iron chalcogenides FeO and FeS in the gas phase
    • 19961; doi: 10.1002/chem.19960021008
    • (a) J.N. Harvey, C. Heinemann, A. Fiedler, D. Schröder and H. Schwarz, "Redox properties of the diatomic bare iron chalcogenides FeO and FeS in the gas phase", Chem. Eur. J. 2, 1230 (19961; doi: 10.1002/chem.19960021008
    • Chem. Eur. J , vol.2 , pp. 1230
    • Harvey, J.N.1    Heinemann, C.2    Fiedler, A.3    Schröder, D.4    Schwarz, H.5
  • 48
    • 0242524756 scopus 로고    scopus 로고
    • 2+ dication, J. Phys. Chem. A 104, 11257 I2000]; doi: 10.1021/jp002892v
    • 2+ dication", J. Phys. Chem. A 104, 11257 I2000]; doi: 10.1021/jp002892v
  • 50
    • 65349087747 scopus 로고    scopus 로고
    • 17 keV 160- sputtering with a similar SIMS instrument was previously applied by Riciputi et at.28 for quantitative trace analysis of rare earth elements (REE) X in silicates, that were monitored as mono-atomic dication signals X2+ at half-integer m/z values. Riciputi ef at. reported that doubly-charged oxide ions X02, with observed signal ratios of X02+:X 2+ of roughly 10-4] of light REE elements could cause mass interferences at half-integer m/z values with atomic dication signals of heavier REE elements, for example, Gd.28 [This example includes the mass interferences of 139La1602+ 6 with 155Gd2+ and of 141pr 16O2+ 6 with157Gd2
    • 2+.)
  • 51
    • 0001368065 scopus 로고
    • Analysis for rare earth elements in silicates by ion microprobe using doubly-charged ions
    • doi: 10.1021/ac00057aOU
    • L.R. Riciputi, W.H. Christie, D.R. Cole and T.M. Rosseel, "Analysis for rare earth elements in silicates by ion microprobe using doubly-charged ions", Anal. Chem. 65, 1186 (1993). doi: 10.1021/ac00057aOU
    • (1993) Anal. Chem , vol.65 , pp. 1186
    • Riciputi, L.R.1    Christie, W.H.2    Cole, D.R.3    Rosseel, T.M.4
  • 52
    • 65349098399 scopus 로고    scopus 로고
    • 2+ detection at high mass resolution.)
    • 2+ detection at high mass resolution.)
  • 53
    • 24444434383 scopus 로고
    • An efficient internally contracted multiconfiguration-reference configuration interaction method
    • doi: 10.1063/1.455556
    • H.-J. Werner and P.J. Knowles, "An efficient internally contracted multiconfiguration-reference configuration interaction method", J. Chem. Phys. 89, 5803 (1988). doi: 10.1063/1.455556
    • (1988) J. Chem. Phys , vol.89 , pp. 5803
    • Werner, H.-J.1    Knowles, P.J.2
  • 54
    • 11744301188 scopus 로고
    • An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
    • doi: 10.1016/0009-2614(88)87412-8
    • P.J. Knowles and H.-J. Werner, "An efficient method for the evaluation of coupling coefficients in configuration interaction calculations", Chem. Phys. Lett. 145, 514 [1988). doi: 10.1016/0009-2614(88)87412-8
    • (1988) Chem. Phys. Lett , vol.145 , pp. 514
    • Knowles, P.J.1    Werner, H.-J.2
  • 55
    • 0344628184 scopus 로고
    • The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)
    • doi: 10.1016/0009-261418887388-3
    • R.J. Gdanitz and R. Ahlrichs, "The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)", Chem. Phys. Lett. U3, 413 (1988). doi: 10.1016/0009-2614188)87388-3
    • (1988) Chem. Phys. Lett , vol.U3 , pp. 413
    • Gdanitz, R.J.1    Ahlrichs, R.2
  • 56
    • 0006244148 scopus 로고
    • A fifth-order perturbation comparison of electron correlation theories
    • doi: 10.1016/S0009-2614(89) 87395-6
    • K. Raghavachari, G.W. Trucks, J.A. Pople and M. Head - Gordon, "A fifth-order perturbation comparison of electron correlation theories", Chem. Phys. Lett. 157, 479 (1989). doi: 10.1016/S0009-2614(89) 87395-6
    • (1989) Chem. Phys. Lett , vol.157 , pp. 479
    • Raghavachari, K.1    Trucks, G.W.2    Pople, J.A.3    Head - Gordon, M.4
  • 57
    • 36449001370 scopus 로고
    • Coupled cluster theory for high spin, open shell reference wave functions
    • doi: 10.1063/1.465990
    • P. Knowles, C. Hampel and H.-J. Werner, "Coupled cluster theory for high spin, open shell reference wave functions", J. Chem. Phys. 99, 5219 (1993). doi: 10.1063/1.465990
    • (1993) J. Chem. Phys , vol.99 , pp. 5219
    • Knowles, P.1    Hampel, C.2    Werner, H.-J.3
  • 58
    • 65349174354 scopus 로고    scopus 로고
    • MOLPRO 2006.1 is a package of ah initio programs written by H.-J. Werner and P.J. Knowles, with contributions from R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schutz, H. StoLl. A.J. Stone, R. Tarroni and T. Thorsteinsson; see http://www/molpro. net.
    • MOLPRO 2006.1 is a package of ah initio programs written by H.-J. Werner and P.J. Knowles, with contributions from R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schutz, H. StoLl. A.J. Stone, R. Tarroni and T. Thorsteinsson; see http://www/molpro. net.
  • 59
    • 84987142859 scopus 로고
    • Configuration interaction calculations of the nitrogen molecule
    • doi: 10.1002/qua.560080106
    • S.R. Langhoff and E.R. Davidson, "Configuration interaction calculations of the nitrogen molecule", Int. J. Quantum Chem. 8, 61 (1974). doi: 10.1002/qua.560080106
    • (1974) Int. J. Quantum Chem , vol.8 , pp. 61
    • Langhoff, S.R.1    Davidson, E.R.2
  • 60
    • 33746614482 scopus 로고
    • Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
    • doi: 10.1063/1.456153
    • T.H. Dunning, Jr, "Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen", J. Chem. Phys. 90, 1007 (1989). doi: 10.1063/1.456153
    • (1989) J. Chem. Phys , vol.90 , pp. 1007
    • Dunning Jr, T.H.1
  • 62
    • 0000724478 scopus 로고    scopus 로고
    • Basis - set convergence of correlated calculations on water
    • doi: 10.1063/1.473863
    • T. Helgaker, W. Klopper, H. Koch and J. Noga, "Basis - set convergence of correlated calculations on water", J. Chem. Phys. 106, 9639 (1997). doi: 10.1063/1.473863
    • (1997) J. Chem. Phys , vol.106 , pp. 9639
    • Helgaker, T.1    Klopper, W.2    Koch, H.3    Noga, J.4
  • 63
    • 65349122839 scopus 로고    scopus 로고
    • MOLCAS-4 is a package of ab initio programs written by K. Andersson, M.R.A. Blomberg, M.P. Fülscher, G. Karlström, R. Lindh, P.-Å. Malmqvist, P. Neogrády, J. Olsen, B.O. Roos, A.J. Sadlej, M. Schütz, L. Seijo, L. Serrano-Andrés, P.E.M. Siegbahn and P.-O. Widmark, Lund University, Sweden, [1997.
    • MOLCAS-4 is a package of ab initio programs written by K. Andersson, M.R.A. Blomberg, M.P. Fülscher, G. Karlström, R. Lindh, P.-Å. Malmqvist, P. Neogrády, J. Olsen, B.O. Roos, A.J. Sadlej, M. Schütz, L. Seijo, L. Serrano-Andrés, P.E.M. Siegbahn and P.-O. Widmark, Lund University, Sweden, [1997).
  • 65
    • 65349169351 scopus 로고    scopus 로고
    • Our observation of the diatomic dications As02+ and Ga0 2+ had been briefly mentioned previously (data not shown) in Table II in Reference 10
    • 2+ had been briefly mentioned previously (data not shown) in Table II in Reference 10.
  • 66
    • 0000541654 scopus 로고
    • Doubly charged sputtered ions of fourth-row elements
    • doi: 10.1103/PhysRevB.46.15452
    • S.N. Schauer and P. Williams, "Doubly charged sputtered ions of fourth-row elements", Phys. Rev. B 46, 15452 (1992). doi: 10.1103/PhysRevB.46.15452
    • (1992) Phys. Rev. B , vol.46 , pp. 15452
    • Schauer, S.N.1    Williams, P.2
  • 68
    • 0000172151 scopus 로고    scopus 로고
    • 3π): The ionization energy of LiO
    • doi: 10.1016/S0009-2614(01)01069-7
    • 3π): the ionization energy of LiO", Chem. Phys. Lett. 347, 481 (2001). doi: 10.1016/S0009-2614(01)01069-7
    • (2001) Chem. Phys. Lett , vol.347 , pp. 481
    • Lee, E.P.F.1    Soldan, P.2    Wright, T.G.3
  • 69
    • 36449000143 scopus 로고
    • Ab initio study of the electronic structures of lithium containing diatomic molecules and ions
    • doi: 10.1063/1.465600
    • A.I. Boldyrev, J. Simons and P.V.R. Schleyer, "Ab initio study of the electronic structures of lithium containing diatomic molecules and ions", J. Chem. Phys. 99, 8793 (1993). doi: 10.1063/1.465600
    • (1993) J. Chem. Phys , vol.99 , pp. 8793
    • Boldyrev, A.I.1    Simons, J.2    Schleyer, P.V.R.3
  • 70
    • 17644394618 scopus 로고    scopus 로고
    • Ground states of BeC and MgC: A comparative multireference Brillouin-Wigner coupled cluster and configuration interaction study
    • doi: 10.1002/ qua.20379
    • V.I. Teberekidis, I.S.K. Kerkines, C.A. Tsipis, P. Čársky and A. Mavridis, "Ground states of BeC and MgC: A comparative multireference Brillouin-Wigner coupled cluster and configuration interaction study", Int. J. Quantum Chem. 102, 762 (2005). doi: 10.1002/ qua.20379
    • (2005) Int. J. Quantum Chem , vol.102 , pp. 762
    • Teberekidis, V.I.1    Kerkines, I.S.K.2    Tsipis, C.A.3    Čársky, P.4    Mavridis, A.5
  • 72
    • 36148931496 scopus 로고    scopus 로고
    • Quantum electrodynamical corrections to fine-structure of helium
    • doi: 10.1016/0003-4916(74)90333-9
    • M. Douglas and N.M. Kroll, "Quantum electrodynamical corrections to fine-structure of helium", Ann. Phys. [N.Y.] 82, 89 11974). doi: 10.1016/0003-4916(74)90333-9
    • Ann. Phys. [N.Y.] , vol.82 , pp. 89-11974
    • Douglas, M.1    Kroll, N.M.2
  • 73
    • 0000110072 scopus 로고
    • Revision of the Douglas-Kroll transformation
    • doi: 10.1103/PhysRevA.39.6016
    • G. Jansen and B.A. Hess, "Revision of the Douglas-Kroll transformation", Phys. Rev. A 39, 6016 (1989). doi: 10.1103/PhysRevA.39.6016
    • (1989) Phys. Rev. A , vol.39 , pp. 6016
    • Jansen, G.1    Hess, B.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.