AM1 STABILITY PREDICTION - B36N24 GREATER-THAN B36P24 GREATER-THAN AL36N24 GREATER-THAN A1(36)P(24)

Authors
SLANINA Z SUN ML LEE SL
Citation
Z. Slanina et al., AM1 STABILITY PREDICTION - B36N24 GREATER-THAN B36P24 GREATER-THAN AL36N24 GREATER-THAN A1(36)P(24), Journal of molecular structure. Theochem, 334(2-3), 1995, pp. 229-233
Citations number
33
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
334
Issue
2-3
Year of publication
1995
Pages
229 - 233
Database
ISI
SICI code
0166-1280(1995)334:2-3<229:ASP-BG>2.0.ZU;2-W
Abstract
Relative stabilities of the title species are treated using the AM1 he ats of atomization. The B36N24 cage of T-h symmetry is concluded to be the most stable. This remains true in a comparison with B24N36, B48N1 2, and B12N48, and also with respect to the best B30N30 structure pres ently known.