Toward resolution of the silicon dicarbide (SiC[sub 2]) saga: Ab initio excursions in the web of

Nielsen, Ida M.B.; Allen, Wesley D.
July 1997
Journal of Chemical Physics;7/22/1997, Vol. 107 Issue 4, p1195
Academic Journal
Studies the problem of topography, energetics and vibrational dynamics of the ground-state surface of SiC[sub 2] by means of electronic structure methods. Proliferation of definitive spectroscopy; Challenge for ab initio theory; Theoretical prospectus and procedures; Analysis of the polytopism problem; Barriers to linearity and heat of formation.


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