-
1
-
-
36149010559
-
-
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
-
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
-
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
14
-
-
84860959296
-
3+″
-
doi: 10.1063/1.1821496
-
3+″", J. Chem. Phys. 121, 12293 (2004); doi: 10.1063/1.1821496
-
(2004)
J. Chem. Phys
, vol.121
, pp. 12293
-
-
Franzreb, K.1
Hrusak, J.2
Alikhani, M.E.3
Lörinčík, J.4
Sobers Jr, R.C.5
Williams, P.6
-
15
-
-
78650131919
-
-
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
-
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
-
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
-
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
-
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
31
-
-
65349113566
-
-
- sputtering (unpublished results).
-
- sputtering (unpublished results).
-
-
-
-
32
-
-
0041351399
-
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
-
-
2+.]
-
2+.]
-
-
-
-
34
-
-
0242664770
-
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
-
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
-
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
-
-
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
-
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
-
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
-
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
-
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
-
-
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
-
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
-
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
-
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
-
-
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
-
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
-
-
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
-
-
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
-
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
-
-
2+ detection at high mass resolution.)
-
2+ detection at high mass resolution.)
-
-
-
-
53
-
-
24444434383
-
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
-
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
-
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
-
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
-
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
-
-
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
-
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
-
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
-
61
-
-
0032502389
-
20
-
2614(98)00111-0, doi: 10.1016/S0009
-
20", Chem. Phys. Lett. 286, 243 (1998). doi: 10.1016/S0009 - 2614(98)00111-0
-
(1998)
Chem. Phys. Lett
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, A.K.7
-
62
-
-
0000724478
-
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
-
-
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
-
-
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
-
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
-
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
-
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
-
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
-
71
-
-
0037326320
-
2
-
doi: 10.1063/1.1533751
-
2", J. Chem. Phys. 118, 2159 (2003). doi: 10.1063/1.1533751
-
(2003)
J. Chem. Phys
, vol.118
, pp. 2159
-
-
Ascenzi, D.1
Franceschi, P.2
Tosi, P.3
Bassi, D.4
Kaczorowska, M.5
Harvey, J.N.6
-
72
-
-
36148931496
-
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
-
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
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