TY - JOUR
T1 - Equilibrium geometry and longitudinal electric polarizability of allene, diallene, and triallene
T2 - an ab initio study
AU - Delhalle, Joseph
AU - BODART, [No Value]
AU - DORY, [No Value]
AU - André, Jean-Marie
AU - ZYSS, [No Value]
PY - 1986
Y1 - 1986
N2 - Equilibrium geometry and longitudinal electric polarizability of propadiene, 1,2,4,5,-hexatetraene and 1,2.4,5,7,8-nonahexaene are calculated with the STO-3G minimal basis set. Predicted polarizability for these systems is comparable in strength with what is observed in classical conjugated chains containing the same number of carbon atoms.
AB - Equilibrium geometry and longitudinal electric polarizability of propadiene, 1,2,4,5,-hexatetraene and 1,2.4,5,7,8-nonahexaene are calculated with the STO-3G minimal basis set. Predicted polarizability for these systems is comparable in strength with what is observed in classical conjugated chains containing the same number of carbon atoms.
U2 - 10.1002/qua.560280830
DO - 10.1002/qua.560280830
M3 - Article
SN - 0020-7608
VL - 28
SP - 313
EP - 321
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
IS - S19
ER -