Theoretical study of substituent effects on electride characteristics and the nonlinear optical properties of Li@calix[4]pyrrole
Keyword(s):
A relationship between the electride characteristics and the NLO properties is found: the more delocalization the excess electron of the electride experiences, the larger the β0 value is.
2018 ◽
Vol 122
(9)
◽
pp. 2344-2352
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Keyword(s):
Keyword(s):
2018 ◽
Vol 40
(9)
◽
pp. 971-979
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