ChemInform Abstract: Structure of the Ammonia-Boryl Radical (BH2NH3), an Inorganic Analogue of the Ethyl Radical. A Non Empirical Study |
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Authors: | N RUSSO R SUBRA M TOSCANO V BARONE |
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Institution: | Dip. Chim., Univ. "Federico II", I-80134 Napoli, Italy |
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Abstract: | at the UHF-SCF level employing the 6-31*G basis set including complete geometry optimization on various possible conformations suggests that the distortion of the BH2 group is higher than the corresponding distortion of the CH2 group in the isoelectronic CH2CH3 and CH2NH3 radicals. |
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Keywords: | theory structure |
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