Browsing by Author "Isin, DO"
Now showing items 1-1 of 1
-
A computational study on the self-association of -CN, -NH2, -CH3 and -C(CH3)(3) derivatives of 2-pyrrolidinone
Isin, DO; Yekeler, H (ELSEVIER SCIENCE BV, 2004)2-Pyrrolidinone is a model compound for peptides, proteins and antibiotics. We performed full geometry optimizations for -CN, -NH2, -CH3 and -C(CH3)(3) derivatives of 2-pyrrolidinone and their cyclic and open dimer structures ...