CONFORMATIONAL ASPECTS OF SYNTHETIC POLYPEPTIDES. II. CRITICAL RANGE FOR INTRAMOLECULAR HYDROGEN BONDING

Conformations, energies, and intramolecu

Conformations, energies, and intramolecular hydrogen bonds in dicarboxylic acids: Implications for the design of synthetic dicarboxylic acid receptors

✍ Thanh Ha Nguyen; David E. Hibbs; Siân T. Howard 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 191 KB

## Abstract The various conformers of the dicarboxylic acids HO~2~C(CH2)~__n__~CO~2~H, __n__ = 1–4, were obtained using density functional methods (DFT), both in the gas phase and in the aqueous phase using a polarized continuum model (PCM). Several new conformers were identified, particularly fo