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The molecular structure and spectra of cubane. An ab initio investigation

✍ Scribed by Jan Almlöf; Torgeir Jonvik

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
271 KB
Volume
92
Category
Article
ISSN
0009-2614

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✦ Synopsis

The equhbnum geometry and vtbrattonal frequenctes oicubanc have been studled with xcur~tc ab mmo SCT cslculatlons The cxkuhtions confum the cutuc symmetry oithc molecule, and the computed bond dlstanccsRCC = J.j70 A, RCH = 1081 A compac well wtth e\pertmcnt lntensttics and depolartzatton IXIOS have also been wlculsted ior the

Raman-actne fundarnentti

The orb&d enrrgcs arc dscussed in rel3tron to the photoelectron spectrum.

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