Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Anthony Silvestro"'
Publikováno v:
J. Chem. Soc., Perkin Trans. 2. :457-460
Ab initio molecular orbital calculations are reported for the π-electron transfer to or from the substituent for 20 monosubstituted benzenes, both at the minimal STO-3G basis set and at the split-valence 4-31 G basis set. Evidence from i.r. intensit
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 184:23-31
The response of ten common substituents to varying π-electron demand has been examined by calculations at the ab initio STO-3G basis. The system used was XCHCH-CH 2 + or XCHCH-CH 2 − , with variation in the length of the C-C single bond. The
Publikováno v:
ChemInform. 19
Ab initio molecular orbital calculations are reported for the π-electron transfer to or from the substituent for 20 monosubstituted benzenes, both at the minimal STO-3G basis set and at the split-valence 4-31 G basis set. Evidence from i.r. intensit