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- W2949672173 abstract "A theory is described for calculating photodissociation spectra for polyatomic molecules larger than triatomics. The general method combines the vibrational close‐coupling, rotational infinite‐order‐sudden approximation with the technique of Kulander and Light for calculating photodissociation integrals. The three‐dimensional theory enables several vibrational states in the polyatomic photofragments to be coupled together and also allows for initial vibrational and rotational excitation in the parent molecule. The method has been applied to the CF3I→CF3+I (2P1/2) photodissociation process for the radiation frequency range 32 000–42 000 cm−1. Cross sections are reported for CF3I in the ground vibrational state, and also with C–I stretching and bending modes excited initially. Considerable vibrational excitation in the CF3 photofragments is obtained in the calculations at higher frequencies, a finding that is in agreement with experimental measurements. There is a marked preferential population of CF3 combi..." @default.
- W2949672173 created "2019-06-27" @default.
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- W2949672173 date "1986-08-05" @default.
- W2949672173 modified "2023-09-25" @default.
- W2949672173 title "ChemInform Abstract: A Theory for the Photodissociation of Polyatomic Molecules, with Application to CF3I" @default.
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- W2949672173 doi "https://doi.org/10.1002/chin.198631137" @default.
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