Fingerprinting petroporphyrin structures with vibrational spectroscopy. Part 7. Calculations using density functional theory of the molecular structures and structure-sensitive vibrational modes of type II nickel(II) cycloalkanoporphyrins

Organic Geochemistry

Volumn 38, Issue 2, 2007, Pages 250-266

  Czader, Arkadiusz ^a   Czernuszewicz, Roman S ^a  

^a University of Houston   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PETROPORPHYRIN STRUCTURES; SYMMETRY CONSTRAINTS; VIBRATIONAL SPECTROSCOPY;

AROMATIC COMPOUNDS; CARBON; COMPLEXATION; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS;

NICKEL COMPOUNDS;

CHEMICAL BONDING; NICKEL; ORGANIC COMPOUND; PORPHYRIN; QUANTUM MECHANICS; SPECTROSCOPY;

EID: 33846526751     PISSN: 01466380     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.orggeochem.2006.09.012     Document Type: Article

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