Infrared spectra of nickel octaethylporphyrin and its isotopomers computed via density functional theory-scaled quantum mechanical (DFT-SQM) method

Journal of Physical Chemistry A

Volumn 107, Issue 20, 2003, Pages 4165-4171

  Stoll, Lindy K ^a   Zgierski, Marek Z ^b   Kozlowski, Pawel M ^a  

^a UNIVERSITY OF LOUISVILLE   (United States)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

ISOTOPOMERS; NICKEL OCTAETHYLPORPHYRINS; SCALED QUANTUM MECHANICAL METHOD;

NICKEL COMPOUNDS;

EID: 0038621844     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022398m     Document Type: Article

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