An energetically low-lying silacyclopropyne isomer of SiC2

We have discovered a low-lying cyclic isomer of Si–C–C which is best described as a three-membered ring with a weak carbon–carbon triple bond. In these theoretical studies a double zeta plus polarization basis set was used initially. At the self-consistent-field (SCF) and two-configuration (TC) SCF...

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Veröffentlicht in:	The Journal of chemical physics 1984-04, Vol.80 (8), p.3552-3555
Hauptverfasser:	GREV, R. S, SCHAEFER, H. F. III
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Electron correlation calculations for atoms and molecules Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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