Modeling electrochromic poly-dioxythiophene-containing materials through TDDFT
2017 ◽
Vol 19
(30)
◽
pp. 20251-20258
◽
Here we report the first colormetric model using mPW1PBE/cc-PVDZ with CPCM to predict the chemical properties of three electrochromic polymers in which the largest UV-Vis absolute peak maximum difference when compared to experiment was 14 nm.
1966 ◽
Vol 24
◽
pp. 101-110
1974 ◽
Vol 32
◽
pp. 262-263
1978 ◽
Vol 36
(2)
◽
pp. 140-141
1982 ◽
Vol 40
◽
pp. 664-665
1968 ◽
Vol 26
◽
pp. 244-245
1995 ◽
Vol 53
◽
pp. 232-233
1989 ◽
Vol 47
◽
pp. 674-675
1993 ◽
Vol 51
◽
pp. 500-501
1993 ◽
Vol 51
◽
pp. 736-737
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