@article {183,
	title = {Theoretical and experimental studies of the barrier to amine rotation in creatinine: influence of solvation models and explicit solvation},
	journal = {Molecular Physics},
	volume = {92},
	number = {3},
	year = {1997},
	note = {Times Cited: 4},
	pages = {421-427},
	abstract = {The barrier to rotation about the C-N(H-2) bond in creatinine in aqueous environments has been studied experimentally, by means of NMR spectroscopy, and theoretically, employing a number of models based upon explicit solvation and continuum descriptions. The measured barrier to rotation (13 kcal mol(-1)) is obtained only if an explicit solvent is included in calculations on a supermolecule model; the use of a continuum model alone predicts a barrier (9 kcal mol(-1)), considerably smaller than the experimental value.},
	isbn = {0026-8976},
	url = {<Go to ISI>://WOS:A1997YC60700010},
	author = {Craw, J. S. and Hillier, I. H. and Morris, Gareth A. and Vincent, M. A.}
}
