title: Preferential site of attack on fullerene cations: frontier orbitals and rate coefficients.
abstract: An analysis of reaction efficiency is presented for reactions of carbonaceous ions and molecules. Our results show that the combination of experimental rate-coefficient measurements and computations of the condensed Fukui functions of frontier molecular orbitals and pyramidal angles of pi orbitals is very useful for elucidating the reactive sites on fullerene carbon clusters in the gas phase.
authors.affiliation: Department of Chemistry and Research Institute of Basic Sciences, Wonkwang University, Iksan, Jeonbuk 570-749, S. Korea. khlee@wonkwang.ac.kr
authors.forename: Kee Hag
authors.initials: KH
authors.lastname: Lee
authors.forename: Changhoon
authors.initials: C
authors.lastname: Lee
authors.forename: Jinhee
authors.initials: J
authors.lastname: Kang
authors.forename: Sung Soo
authors.initials: SS
authors.lastname: Park
authors.forename: Jeeyoung
authors.initials: J
authors.lastname: Lee
authors.forename: Sang Kuk
authors.initials: SK
authors.lastname: Lee
authors.forename: Diethard K
authors.initials: DK
authors.lastname: Bohme