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  • 1
    In: EP Europace, 2017, Vol. 19(suppl1), pp.i37-i37
    Keywords: Medicine;
    ISSN: 1099-5129
    E-ISSN: 1532-2092
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  • 2
    Language: English
    In: Chemical Physics Letters, 11/1984, Vol.112(2), pp.142-146
    Description: Close-coupling calculations at 500 cm −1 for the system (Ar,LiH) are used to obtain scattering amplitudes and cross sections for the rotational transitions j = 1 to j' = 0, 2, 3, 4, 5, j = 2 to j' = 3 and j = 3 to j' = 4. The degeneracy-averaged cross sections are in reasonable agreement with experiment for two different simple model potentials. Values for m -dependent cross sections with respect to two frames of reference are compared with various rules for Δ m and with the previous results for (Ar,LiH).
    Keywords: Chemistry;
    ISSN: 00092614
    E-ISSN: 18734448
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  • 3
    Language: English
    In: Chemical Physics Letters, 07/1986, Vol.128(3), pp.315-318
    Description: Integral and differential cross sections for rotational scattering ( jmj → j'mj' ) in (He,LiH) were obtained by the close-coupling method with 121 channels using the ab initio potential due to Silver at an energy of 950 cm −1 . The results are compared with previous work using empirical potentials, with experiment, and with approximate calculations.
    Keywords: Chemistry;
    ISSN: 00092614
    E-ISSN: 18734448
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  • 4
    Language: English
    In: Tetrahedron Letters, 1/1959, Vol.1(8), pp.4-7
    Keywords: Chemistry;
    ISSN: 00404039
    E-ISSN: 18733581
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  • 5
    Language: English
    In: Chemical Physics Letters, 07/1981, Vol.81(2), pp.279-283
    Description: Quasi-degenerate many-body perturbation theory with a multi-configuration reference space is used to obtain potential curves for the ground and excited electronic states of Li 2 , LiNa and Na 2 . Correlation contributions are analyzed and the effect of potential curve crossing on laser action is discussed.
    Keywords: Chemistry;
    ISSN: 00092614
    E-ISSN: 18734448
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  • 6
    Language: English
    In: Chemical Physics Letters, 04/1980, Vol.71(2), pp.303-306
    Description: To assist the interpretation of polarized rotational scattering experiments from states ( j, m ) to ( j, m' ), differential and total cross sections obtained from close-coupling calculations are given for m values corresponding to j ⩽ 3 in collisions between LiF and Ar at 20 cm −1 . The hypothesis ¦ m ¦-¦ m' ¦= 0 is proposed for the most likely transition, as an extension of the Δ m = 0 rule.
    Keywords: Chemistry;
    ISSN: 00092614
    E-ISSN: 18734448
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  • 7
    Language: English
    In: Chemical Physics Letters, 10/1974, Vol.28(4), pp.520-522
    Description: Koopmans' theorem ionization potentials from ab initio gaussian basis set calculations on cis, trans and skew forms of HOOH and HSSH are compared with experimental values from photoelectron spectroscopy.
    Keywords: Chemistry;
    ISSN: 00092614
    E-ISSN: 18734448
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  • 8
    Language: English
    In: Chemical Physics Letters, 07/1968, Vol.2(3), pp.173-175
    Description: Ionization potentials calculated by the valency electron self-consistent molecular method CNDO/2 for BF 3 , HCHO, O 3 , N 2 , CO, the fluoromethanes, and some fluorobenzenes are compared with experimental values obtained by photo-electron and ultraviolet spectroscopy.
    Keywords: Chemistry;
    ISSN: 00092614
    E-ISSN: 18734448
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  • 9
    Language: English
    In: Chemical Physics Letters, 06/1977, Vol.48(3), pp.565-567
    Description: Ab initio calculations with a double zeta contracted gaussian basis are used to discuss the ionization potentials of o -, m - and p -difluorobenzene, and the correlation with benzene. Interpretations of the experimental X-ray and UV photoelectron spectra are given.
    Keywords: Chemistry;
    ISSN: 00092614
    E-ISSN: 18734448
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  • 10
    In: EP Europace, 2017, Vol. 19(suppl1), pp.i59-i59
    Keywords: Medicine;
    ISSN: 1099-5129
    E-ISSN: 1532-2092
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