Abstract
Hartree Fock- (HF) and Møller-Plesset-level 6-31 G* (MP2) calculations support the existence of the noncharacterized hypothiocyanite ion OSCN−, but suggest that its structure is OCNS−, having the lowest energy at the HF and MP2 levels.
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Pyykö, P.; Runeberg, N. (J. Chem. Soc. Chem. Commun. 1991 547/8).
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© 1994 Springer-Verlag Berlin Heidelberg
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Baumann, N., Fachmann, HJ., Jotter, R., Kubny, A. (1994). Isohypothiocyanous Acid Ion (1−), OCNS− . In: Baumann, N., Fachmann, HJ., Jotter, R., Kubny, A. (eds) Sulfur-Nitrogen Compounds. S. Schwefel. Sulfur (System-Nr. 9), vol S / S-N / 11. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-06354-5_10
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DOI: https://doi.org/10.1007/978-3-662-06354-5_10
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