✦ LIBER ✦

Small elemental clusters: theoretical study of P, P2, P4 and P8

✍ Scribed by Krishnan Raghavachari; R.C. Haddon; J.S. Binkley

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 440 KB
Volume: 122
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)80566-2

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✦ Synopsis

The geomelrres brndmg energws and wbratmnal frequencies of P2, P., and Ps are computed by means of accurate ab mlllo molecular orbllal lechnlques P4 IS round LO be conslderably more stable than ellher Pz or P& Large baser sets and eleclron correlnrron errec~s arc imponanl rn rhe aczurale calculalion or the energclics or these syslems

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