Accurate calculation of the phenyl radical's magnetic inequivalency, relative orientations of its spin hamiltonian tensors, and its electronic spectrum

Journal of Physical Chemistry A

Volumn 111, Issue 2, 2007, Pages 251-260

  Mattar, Saba M ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; HAMILTONIANS; MAGNETIC PROPERTIES; PROBABILITY DENSITY FUNCTION;

HYDROGEN NUCLEAR HYPERFINE TENSORS; MAGNETIC INEQUIVALENCY; PRINCIPAL AXES; VERTICAL EXCITATIONS;

TENSORS;

EID: 33847145412     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp065752f     Document Type: Article

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