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Mechanized analysis of the shift charts in Capron fibre production

✍ Scribed by A. N. Korotkov; G. P. Tolpygin

Publisher
Springer US
Year
1972
Tongue
English
Weight
218 KB
Volume
3
Category
Article
ISSN
0015-0541

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Quantum chemical calculations at mPW1PW91 level, with full geometry optimization, using the 6-31g(d) basis set, and GIAO (gauge including atomic orbitals) 13 C NMR chemical shifts using the 6-31g(d,p) basis set, are here utilized as a support to define the configurational features of the natural pro