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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(cyclopentadienyldicarbonylchromium)
(1989)
Total geometry optimizations are reported for Cr(CO)₆ , HMn(CO)₅ , Fe(CO)₅ , Ni(CO)₄ , Cr(C₆H₆)₂, Fe(C₅H₅)₂ , Ni(C₄H₄)₂, Cr(NO)₄, (C₅H₅)Mn(CO )₃, and (C₆H₆)Cr(CO)₃ . A variety of basis sets were examined, and, based on the ...
Reaction strategies using functionalized polyethylenes as ligands for homogeneous palladium catalysis
(1989)
Diphenylphosphine functionalized ethylene oligomers were used as supports for palladium(0) and palladium(II) catalysts. An advantage of using these ethylene oligomer ligated catalysts was their temperature dependent ...
Characterization of alkane conversions over supported nickel catalysts
(1989)
A pulse-flow reaction system has been used to investigate the conversions of C₂-C₇ alkanes over SiO₂-,La₂O₃-, and charcoal-supported nickel catalysts. The effects of nickel loading level, reaction temperature, and structure ...
Ligand- and metal-centered oxidative degradations in binuclear dioxygen complexes
(1989)
Synthesis and potentiometric equilibrium studies of the stabilities of the complexes of 1, 3-bis (2', 5;, 8', 11'-tetraaza-undecyl) benzene (MATRIEN) with Cu(II), Co (II), Ni(II), and Zn(II) are reported. Equilibrium ...
The positional isotope exchange technique as a probe of enzymatic mechanisms
(1989)
The positional isotope exchange (PIX) technique has been used to investigate the mechanisms of five enzymes: uridine diphosphoglucose pyrophosphorylase, galactose 1-phosphate uridyltransferase, sucrose synthetase, D -alanyl-D ...