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Quantum mechanical origin of the conformational preferences of 4-thiaproline and itsS-oxides

✍ Scribed by Amit Choudhary; Khian Hong Pua; Ronald T. Raines

Book ID
106222041
Publisher
Springer
Year
2010
Tongue
English
Weight
372 KB
Volume
41
Category
Article
ISSN
0939-4451

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## Abstract Quantum chemical study of __N__‐formylformamide (NFF) was carried out at various theoretical levels and the determinate equilibrium conformations were recomputed at the high level ab initio methods such as G2MP2, G2, G3, and complete basis set (CBS)‐QB3. The computational results reveal