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Figure 6
(a) Variation in the HOMO and LUMO separation with changing Ag+(M)—Ag+(S) distance. (b) Change in molecular polarization with the shift in Ag+(M) ion; the shift of Ag+(M) at room temperature is taken as 0.0, i.e. Ag+(M) is displaced progressively from its room-temperature position.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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