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A theoretical study of the structure and protonation of Palbociclib (PD 0332991)

✍ Scribed by Alkorta, Ibon; Elguero, José

Book ID
121342922
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
1015 KB
Volume
1056-1057
Category
Article
ISSN
0022-2860

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Ab initio molecular orbital calculations have been used to determine the structure of protonated ozone. Four stable minima were found on the 03H+ singlet potential energy surface. Three forms correspond to ozone protonated at the central oxygen ((22") or at the terminal oxygen (two C, isomers, E and