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Anisotropic chemical shifts of 59Co in Co(NH3)6Cl

✍ Scribed by E.C. Reynhardt


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
256 KB
Volume
15
Category
Article
ISSN
0038-1098

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## Abstract ^59^Co chemical shifts were computed at the GIAO‐B3LYP level for [Co(CN)~6~]^3βˆ’^, [Co(H~2~O)~6~]^3+^, [Co(NH~3~)~6~]^3+^, and [Co(CO)~4~]^βˆ’^ in water. The aqueous solutions were modeled by Car–Parrinello molecular dynamics (CPMD) simulations, or by propagation on a hybrid quantum‐mechan

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