caa a22 4500 465808506 CHVBK 20180323112109.0 cr unu---uuuuu 170327e19900301xx s 000 0 eng 10.1007/BF01160506 doi (NATIONALLICENCE)springer-10.1007/BF01160506 Quantum-chemical study of structure and isotropic chemical shifts in the NMR spectrum of the paramagnetic complex of 1-vinylimidazole with CuCl2 [Elektronische Daten] [D. Danovich, B. Plakhutin, V. Voronov] The INDO UHF method has been applied to the complexes CuCl2L4 (L=1-vinylimidazole, NH3) to calculate the isotropic (Fermi contact) paramagnetic shifts in the1H and13C NMR spectra. The structure of the complexes in solution was elucidated by comparison with experimental data, and some methodological aspects of the calculation have been considered. Plenum Publishing Corporation, 1990 Danovich D. Irkutsk Polytechnical Institute. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut Plakhutin B. Irkutsk Polytechnical Institute. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut Voronov V. Irkutsk Polytechnical Institute. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/2(1990-03-01), 208-212 0040-5760 26:2<208 1990 26 11237 https://doi.org/10.1007/BF01160506 text/html Onlinezugriff via DOI 1 brief-communication jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01160506 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Danovich D. Irkutsk Polytechnical Institute. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Plakhutin B. Irkutsk Polytechnical Institute. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Voronov V. Irkutsk Polytechnical Institute. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/2(1990-03-01), 208-212 0040-5760 26:2<208 1990 26 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer