Theoretical studies on metal porphyrin halides: Geometrical parameters and nonlinear optical responses

Journal of Molecular Modeling

Volumn 16, Issue 3, 2010, Pages 499-503

  Asghari Khiavi, Mehdi ^a,b   Safinejad, Feryal ^a  

^a MONASH UNIVERSITY   (Australia)

^b MCGILL UNIVERSITY   (Canada)

Author keywords

Density functional theory; Geometrical parameters; Optical properties; Porphyrins

Indexed keywords

ALUMINUM PHTHALOCYANINE CHLORIDE; FEROUS PORPHINE BROMIDE; FERROUS PORPHINE CHLORIDE; GALLIUM ALUMINUM PHTHALOCYANINE CHLORIDE; HALIDE; MANGANESE PHTHALOCYANINE CHLORIDE; PORPHYRIN; TETRAPHENYLPROPHINE CHLORIDE; UNCLASSIFIED DRUG; ANILINE DERIVATIVE; HALOGEN; METAL; NITROANILINE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DIPOLE; GEOMETRY; HYPERPOLARIZATION; INTERMETHOD COMPARISON; POLARIZATION; PRIORITY JOURNAL; SOLVATION; STATIC ELECTRICITY; THEORETICAL STUDY; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; LIGHT RELATED PHENOMENA; NONLINEAR SYSTEM; THERMODYNAMICS;

ANILINE COMPOUNDS; HALOGENS; METALS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; NONLINEAR DYNAMICS; OPTICAL PHENOMENA; PORPHYRINS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 77951245379     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0556-4     Document Type: Article

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