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- W4289531587 abstract "Isomeric forms of indoline spiropyrans show unusual behavior compared with similar compounds, according to experimental data. DFT modeling for gas phase was made to consider the simplest case without environmental effects, which revealed the intramolecular reasons for occurrence of ring opening reaction depending on the particular structure of the compound. The questions of charge redistributions, the changes of geometry and chemical bonds in the structures are also discussed." @default.
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- W4289531587 date "2022-07-01" @default.
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- W4289531587 title "DFT modeling of indoline spiropyrans with a cationic substituent in the gas phase" @default.
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- W4289531587 doi "https://doi.org/10.1016/j.mencom.2022.07.013" @default.
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