CONFORMATIONAL ENERGIES OF TRANS-1,4-DIFLUORO- AND TRANS-1-CHLORO-4-FLUOROCYCLOHEXANE. THE ROLE OF ELECTROSTATIC INTERACTIONS.
The conformational energies of the title compounds were extrapolated from solution 19F NMR measurements to vapour phase dielectric medium.Vapour phase values were satisfactorily reproduced by MM2 computations including electrostatic interaction
Hammarstroem, Lars-Gunnar,Berg, Ulf,Liljefors, Tommy