Noncovalent interaction of meso-tetraphenylporphine with C 60 fullerene as studied by several DFT methods

Journal of Nanoscience and Nanotechnology

Volumn 11, Issue 6, 2011, Pages 5519-5525

  Basiuk, Vladimir A ^a   Kolokoltsev, Yevgeniy ^a   Amelines Sarria, Oscar ^a  

^a INSTITUTO DE CIENCIAS NUCLEARES   (Mexico)

Author keywords

C 60 fullerene; Density functional theory; General gradient approximation; Local density approximation; Meso tetraphenylporphine; Noncovalent interactions; Porphyrins

Indexed keywords

BOND LENGTHS AND ANGLES; CARBON NANOCLUSTERS; CORRELATION COEFFICIENT; CRYSTALLINE COMPLEXES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT METHOD; ELECTROSTATIC POTENTIALS; EXPERIMENTAL DATA; EXPERIMENTAL VALUES; FORMATION ENERGIES; FULLERENE C; FUNCTIONALS; GENERAL GRADIENT APPROXIMATION; MATERIALS STUDIO; MESO-TETRAPHENYLPORPHINE; NON-COVALENT INTERACTION; X RAY DATA; X-RAY DIFFRACTION DATA;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; LOCAL DENSITY APPROXIMATION; PORPHYRINS; X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS;

FULLERENES;

FULLERENE C60; FULLERENE DERIVATIVE; PORPHYRIN; TETRAPHENYLPORPHINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; PHYSICAL CHEMISTRY; X RAY DIFFRACTION;

FULLERENES; MODELS, MOLECULAR; PHYSICOCHEMICAL PHENOMENA; PORPHYRINS; X-RAY DIFFRACTION;

EID: 80051759223     PISSN: 15334880     EISSN: 15334899     Source Type: Journal    
DOI: 10.1166/jnn.2011.3442     Document Type: Conference Paper

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