Author/Authors :
Blockhuys، نويسنده , , F and Hoefnagels، نويسنده , , R and Van Alsenoy، نويسنده , , C and Geise، نويسنده , , H.J and Jonckers، نويسنده , , T and Dommisse، نويسنده , , R، نويسنده ,
Abstract :
We report on various attempts to determine the configuration of the double bond of a trisubstituted ethene and demonstrate that ab initio calculations of NMR related properties such as nuclear magnetic shielding constants, are a valuable alternative when experimental methods fail.
Keywords :
configuration , isomers , quantum-chemical calculations , Thiophenes
