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Advances in Physical Chemistry
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Special Issues
Advances in Physical Chemistry
/
2013
/
Article
/
Tab 3
/
Research Article
Theoretical Study on the Static (Hyper)Polarizabilities of
α
-
t
-Bu-
ω
-CN-Poly(methylphenyl)silane
Table 3
The energies of the frontier orbitals of
α
-t-
Bu
-
ω
-
CN-poly(methylphenyl)silane. All quantities are in eV.
2
4
6
8
10
12
14
(HOMO)
−5.995
−5.609
−5.395
−5.257
−5.161
−5.092
−5.044
(LUMO)
−0.642
−0.681
−0.808
−0.891
−0.943
−0.976
−1.000
5.353
4.928
4.587
4.366
4.218
4.116
4.044