Dicyanogermylenes: a tale of isomers and interconversions
A systematic investigation is carried out using the B3LYP, BLYP, and BHLYP functionals and MP2 level of theory to characterize the low-lying electronic singlet and triplet GeC(2)N(2) isomers. The basis sets used are of double-ζ plus polarization quality with additional s- and p-type diffuse function...
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| Format: | Article |
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2012
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| Online Access: | http://eprints.utm.my/id/eprint/46814/ http://dx.doi.org/10.1021/ic301225w |
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