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Intramolecular and intermolecular transformations of aspirin in nonhydroxylic solvents

โœ Scribed by Hans Bundgaard; Claus Larsen


Book ID
102403831
Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
331 KB
Volume
65
Category
Article
ISSN
0022-3549

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## Abstract A computational study at the level of density functional theory was carried out to characterize the ^17^O and ^2^H nuclear quadrupole resonance (NQR) spectroscopy parameters in crystalline aspirin. To include O๏ฃฟHยทยทยทO and C๏ฃฟHยทยทยทO hydrogen bonding effects in the calculations, the most pro