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Advances in Physical Chemistry
Table of Contents
Special Issues
Advances in Physical Chemistry
/
2013
/
Article
/
Tab 5
/
Research Article
Theoretical Study on the Static (Hyper)Polarizabilities of
α
-
t
-Bu-
ω
-CN-Poly(methylphenyl)silane
Table 5
The electron correlation effect of
α
-t-
Bu
-
ω
-
CN-poly(methylphenyl)silane (
n
= 2, 4, 6). All quantities are in a.u.
CPHF
MP2
MP2/CPHF
2
1.95
1.86
0.95
354.10
376.09
1.06
77.2
111.0
1.43
4
2.00
1.91
0.96
557.54
590.66
1.06
139.7
250.2
1.79
6
2.03
1.94
0.96
754.27
807.87
1.07
197.7
405.1
2.05