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- W4285465340 abstract "In this paper, the adsorption properties of psoralen in the interaction with CO with the help of the density functional theory (DFT theory level: wB97XD/6-31G*) in a water solvent are investigated. Definitely unrelated interaction of psoralen and CO by electronic properties such as ENOMO and ELUMO, energy gap between HOMO and LUMO, global hardness." @default.
- W4285465340 created "2022-07-15" @default.
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- W4285465340 date "2021-05-20" @default.
- W4285465340 modified "2023-10-14" @default.
- W4285465340 title "QUANTUM CHEMICAL ANALYSIS OF THE SORPTION INTERACTION BETWEEN PSORALENE AND CARBON DIOXIDE (II)" @default.
- W4285465340 doi "https://doi.org/10.46646/sakh-2021-1-358-360" @default.
- W4285465340 hasPublicationYear "2021" @default.
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