ヤギ　トオル   YAGI TORU   八木　徹    所属   メディアコミュニケーション学部 情報文化学科    職種   教授
言語種別	英語
発行・発表の年月	1999/10
形態種別	論文
査読	査読あり
標題	MC/MO Study of the Electronic Structure and Hyperfine Coupling Constant of the Nitrogen of the (CH3)2NO Radical in Hydrogen-Bonding and Non-Hydrogen-Bonding Solvents
執筆形態	共著
掲載誌名	Journal of Physical Chemistry A
出版社・発行元	American Chemical Sciety
巻・号・頁	105(45),pp.9132-9137
著者・共著者	◎Toru Yagi, Osamu Kikuchi
概要	A combination of Monte Carlo (MC) simulation and ab initio molecular orbital (MO) calculation was applied to dimethyl nitroxide (DMNO) in H2O, CH3OH, CH3CN, and (CH3)2CO solutions, and the solvent effect on the electronic structure and hyperfine coupling constant (hfcc) of nitrogen in DMNO was analyzed.