论文信息 - Conformational analysis and experimental dipole moments: a study of furan derivatives

Conformational analysis and experimental dipole moments: a study of furan derivatives

Abstract Semiempirical calculations (MOPAC AM1) on molecular mechanics ( cosmic ) derived conformers were used to analyse the preferred conformations of 2,5-substituted furan derivatives. These structures were originally analyzed by Goya et al. comparing the experimental and calculated dipole moments (Goya et al., J. Mol. Struct., 253 (1992) 179–186). Differences in the resulting analyses are discussed.

Traian Sulea | Ludovic Kurunczi | Tudor-Ionel Oprea

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