Theoretical study of the photoelectron spectrum of (n5-C5H5)Ni(NO) /

The valence photoelectron spectrum of cyclopentadienyl nickel nitrosyl (CpNiNO) was computed to determine the ion state orbital ordering of the 5e1, 7a1, and 3e2 bands. Calculations were performed with Hartree-Fock theory, density functional theory, M[]ller-Plesset perturbation theory, and configura...

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Bibliographic Details

Main Author:	Miller, Thomas F., 1978-
Format:	Thesis Book
Language:	English
Published:	[Place of publication not identified] : [publisher not identified] ; 2000.
Subjects:	Major physical sciences.
Online Access:	http://hdl.handle.net/1969.1/ETD-TAMU-2000-FELLOWS-THESIS-M555