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- W2073388417 abstract "SCF and CAS SCF calculations are reported for the cis and trans isomers of H2Fe(CO)4. The inclusion of non-dynamical σ and π correlation effects is found to be necessary to acount for the experimental energy ordering and the FeC bond lengths of the two isomers." @default.
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- W2073388417 date "1987-11-01" @default.
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- W2073388417 title "The effect of non-dynamical electron correlation on the cis-trans conformational isomerism of H2Fe(CO)4" @default.
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- W2073388417 doi "https://doi.org/10.1016/0009-2614(87)85032-7" @default.
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