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Spectral properties of coumarin derivatives in various environments

✍ Scribed by Holubekova, Alzbeta ;Mach, Pavel ;Urban, Jan

Book ID: 119990089
Publisher: Walter de Gruyter GmbH
Year: 2013
Tongue: English
Weight: 880 KB
Volume: 11
Category: Article
ISSN: 2391-5420
DOI: 10.2478/s11532-012-0185-0

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## Abstract The structural and spectral properties of coumarin derivatives in complex environments were investigated within the time-dependent density functional theory (TD DFT). Absorption spectra calculations were obtained at TD PBE0/6-31+G(d,p) level of theory for coumarin47 in the gas-phase and

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