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To remedy this problem, a multiconfiguration self-consistent-field (MCSCF) approach may be used to appropriately describe these singlet diradical systems. However, using the current computing facility, it is not practical to implement this multi-reference method (e.g., CASSCF) since it may not allow us to include the entire reactive space for all channels.
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more..
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24
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11744264828
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note
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The deposited energy (2hv=186 kcal/mol) gives this available energy since the molecule was cooled in the molecular beam expansion; no appreciable thermal energy. There is no one photon absorption for these cyclic ethers at the wavelength (307 nm) of the experiment.
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25
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0032488870
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