Ab initio study on the structures, energies, and vibrational frequencies of acetone complexes with metal monocations and dications

Journal of Molecular Structure: THEOCHEM

Volumn 686, Issue 1-3, 2004, Pages 147-151

  Song, Jong Hun ^a   Kim, Jongseob ^b   Seo, Gon ^a   Lee, Jin Yong ^a  

^a Chonnam National University   (South Korea)

^b Samsung Advanced Institute of Technology (SAIT)   (South Korea)

Author keywords

Ab initio; Acetone complexes; Electrostatic interaction; IR; Metal cations; Orbital interaction; Vibrational frequency

Indexed keywords

ACETONE; ALKALI METAL; BERYLLIUM; CALCIUM ION; CARBON; CESIUM ION; HYDROGEN; LITHIUM ION; MAGNESIUM ION; OXYGEN; POTASSIUM ION; RUBIDIUM ION; SODIUM ION; ZINC ION;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; ELECTRICITY; ENERGY; LINEAR SYSTEM; PROTON TRANSPORT; VIBRATION;

EID: 7044229650     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.08.022     Document Type: Article

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