Theoretical study of the stability of molecular P2, P4 (T.alpha.), and P8 (Oh)

作者: Reinhart Ahlrichs , Stefan Brode , Claus Ehrhardt

DOI: 10.1021/JA00311A005

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摘要: … The most extensive SCF calculations performed within this study included s, p, and d functions and predict 2P4 to be158 kJ/mol more stable than P8 as has been discussed in section III. …

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