Basis set superposition error on structures and complexation energies of organo-alkali metal iodides

Bulletin of the Korean Chemical Society

Volumn 31, Issue 8, 2010, Pages 2228-2234

  Kim, Chang Kon ^a   Zhang, Hui ^a   Yoon, Sung Hoon ^a   Won, Jongok ^b   Kim, Chan Kyung ^a  

^a Inha University   (South Korea)

^b Sejong University   (South Korea)

Author keywords

Alkali metal iodides; Basis set superposition error; Density functional theory; Dissociation energy

Indexed keywords

ALKALI METAL IODIDE; B3LYP METHOD; BASIS SET SUPERPOSITION ERRORS; BINDING CHARACTERISTICS; COMPLEXATION ENERGY; COORDINATED SYSTEM; CP-CORRECTED; DENSITY FUNCTIONALS; DISSOCIATION ENERGIES; DISSOCIATION ENERGY; GEOMETRY RELAXATION; INTERACTION ENERGIES; SUB-UNITS; THEORETICAL STUDY;

COMPLEXATION; COORDINATION REACTIONS; DISSOCIATION; ETHYLENE; METALS; POLYETHYLENE OXIDES; QUANTUM CHEMISTRY; RHENIUM COMPOUNDS; SODIUM;

DENSITY FUNCTIONAL THEORY;

EID: 77956101940     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2010.31.8.2228     Document Type: Article

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