title: Analysis of the mechanism of retention on graphitic carbon by a computational chemical method.
abstract: Retention mechanism on a graphitic carbon was analyzed by computational chemical calculation. The model graphitic carbon phase was a large polycyclic aromatic hydrocarbon (PAH) and analytes were carbohydrates and hydrocarbons separated by liquid and gas chromatography. Molecular mechanics calculation was fast and suggested their retention order and main retention force. Molecular orbital package calculation (MOPAC) demonstrated their complex form.
authors.affiliation: Health Research Foundation, Institut Pasteur 5F, Sakyo-ku, Kyoto 606-8225, Japan. thanai@attglobal.net
authors.forename: Toshihiko
authors.initials: T
authors.lastname: Hanai
mesh_terms: D006108:Graphite / Q000737:chemistry*; D011083:Polycyclic Compounds / Q000737:chemistry*; D055672:Static Electricity
chemical_list: D011083:Polycyclic Compounds; D006108:Graphite