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- W2020993380 abstract "The energy profiles for the reaction between GeH2 and CO2 have been studied by the G2+ method, which is a modified Gaussian-2 model of theory. It is found that this reaction first yields loosely bound isomeric H2Ge···OCO complexes 1 and 2. These complexes can then undergo reactions leading to products H2GeO + CO (reaction 1) or GeO + H2CO (reaction 2). The G2+ results suggest that reaction 1 is more likely to take place. In addition, the dissociation of 1/2 should proceed via two intermediates, instead of the direct cleavage of a CO bond. The results reported here are also compared with the theoretical and experimental data of the analogous reaction between SiH2 and CO2." @default.
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- W2020993380 date "2004-05-01" @default.
- W2020993380 modified "2023-09-24" @default.
- W2020993380 title "A Theoretical Study of the Reaction of GeH2with CO2and the Dissociation Paths of the Reaction Products" @default.
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- W2020993380 doi "https://doi.org/10.1021/jp0497209" @default.
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