Does anyone know of a reference in which the strength of the internal
H-bond in the g'Gt structure of ethylene glycol (HOCH2CH2OH), was
calculated. I am trying to get some information on this subject through
my ab initio calculations, but would like to compare my results with
results obtained by others, using ab initio techniques, semi-empirical ,
MM or whatever. Also, if somebody knows of any experimental facts, or
references on experiments which give me the information required, please
mail me the reference.
I am not simulating any solvent, so my calculations refer to the gas-phase...
Thanks in advance,
Lab. for General and Inorganic Chemistry
University of Ghent
E-mail : Patrick.Bultinck -8 at 8- rug.ac.be