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Low-lying triplet states of diphosphene, HP=PH, and diphosphinylidene, H2P=P

✍ Scribed by Thomas L. Allen; Andrew C. Scheiner; Yukio Yamaguchi; Henry F. Schaefer III

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 336 KB
Volume: 121
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)87174-8

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✦ Synopsis

Self-consislenl-field and con~gur;ltion-inleraction studies have been carried OUI on several isomeric forms of [he H,P, molecule in their closed-shell. n-a* niplet. and --T* u-ipler sra~.. Properlies determined for each slate include the relative energy. molecular geometry. dipole moment. and vibrational frequencies. Some unusual triple1 smle5 with highly disroncd ~~rucl~res were found.

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