116199-29-2Relevant academic research and scientific papers
CONFORMATIONAL ENERGIES OF TRANS-1,4-DIFLUORO- AND TRANS-1-CHLORO-4-FLUOROCYCLOHEXANE. THE ROLE OF ELECTROSTATIC INTERACTIONS.
Hammarstroem, Lars-Gunnar,Berg, Ulf,Liljefors, Tommy
, p. 4883 - 4886 (2007/10/02)
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
