Spectroscopic identification of reactive porphyrin motions

Journal of Chemical Physics

Volumn 135, Issue 1, 2011, Pages

  Barabanschikov, Alexander ^a   Demidov, Alexander ^a   Kubo, Minoru ^a,c   Champion, Paul M ^a   Sage, J Timothy ^a   Zhao, Jiyong ^b   Sturhahn, Wolfgang ^b   Alp, E Ercan ^b  

^a NORTHEASTERN UNIVERSITY   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF HYOGO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACOUSTIC LATTICES; BIOLOGICAL PROCESS; COMPLEX SPECTRUM; CORRELATION MATRIX; DENSITY FUNCTIONAL THEORY CALCULATIONS; FE ATOMS; HALIDE BINDING; HALIDE COMPLEXES; HIGH SYMMETRY; IRON PORPHYRIN; LOW FREQUENCY; MOLECULAR DISTORTIONS; NORMAL MODES; NUCLEAR RESONANCE VIBRATIONAL SPECTROSCOPY; PORPHINE; QUANTITATIVE COMPARISON; SIDE-CHAINS; SPECTROSCOPIC IDENTIFICATION; SYMMETRIC MODEL; VIBRATIONAL DENSITY OF STATE; VIBRATIONAL DYNAMICS;

DENSITY FUNCTIONAL THEORY; IRON COMPOUNDS;

PORPHYRINS;

PORPHYRIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; METHODOLOGY; SPECTROSCOPY; TEMPERATURE;

COMPUTER SIMULATION; ELECTRONS; MODELS, MOLECULAR; PORPHYRINS; SPECTRUM ANALYSIS; TEMPERATURE;

EID: 79960221290     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3598473     Document Type: Article

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