Theoretical modeling of fullerene-porphyrine interactions: Computational implications

Journal of Computational and Theoretical Nanoscience

Volumn 5, Issue 7, 2008, Pages 1367-1371

  Contreras Torres, Flavio F ^a   Jalbout, Abraham F ^b   Amelines, Oscar F ^a   Basiuk, Vladimir A ^a  

^a INSTITUTO DE CIENCIAS NUCLEARES   (Mexico)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Basis sets; Convergence; DFT; Fullerenes; Non covalent interactions; Porphyrins

Indexed keywords

CHEMICAL BONDS; COMPUTATION THEORY; FULLERENES; PORPHYRINS;

BASIS SETS; CONVERGENCE; CUT-OFF VALUE; DENSITY FUNCTIONAL THEORY STUDIES; NON-COVALENT BONDINGS; NON-COVALENT INTERACTION; NUMERICAL BASIS SETS; THEORETICAL MODELING;

DENSITY FUNCTIONAL THEORY;

EID: 57749090489     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: 10.1166/jctn.2008.2574     Document Type: Article

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