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NQR study of hydrogen bonded trichloroacetic acid complexes

✍ Scribed by O. Kh. Poleshchuk; Yu. K. Maksyutin; O. F. Sychev; K. K. Koshelev; I. G. Orlov

Book ID
112437708
Publisher
Springer
Year
1975
Tongue
English
Weight
195 KB
Volume
24
Category
Article
ISSN
1573-9171

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✍ Mahmoud Mirzaei; Nasser L. Hadipour πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 142 KB πŸ‘ 1 views

## Abstract A computational study at the level of density functional theory (DFT) employing 6‐311++G\*\* standard basis set was carried out to evaluate nuclear quadrupole resonance (NQR) spectroscopy parameters in cytosine‐5‐acetic acid (C5AA). Since the electric field gradient (EFG) tensors are ve