Molecular orbital, generalized valence bond, and complete active space calculations on transition metal compounds with agostic hydrogen and bridging carbonyls: New basis sets, geometry of trichloromethyltitanium, and bonding of bis(cyclopentadienyldicarbo

Posted on:1990-11-05

Degree:Ph.D

Type:Dissertation

University:Texas A&M University

Candidate:Williamson, Rodney Lowell

Full Text:PDF

GTID:1471390017953626

Subject:Chemistry

Abstract/Summary:

Total geometry optimizations are reported for Cr(CO);Optimization of the geometry of TiCl;The structure and bonding of (Cr(Cp)(CO)...

Keywords/Search Tags:

Geometry

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