Vertical Ionization Energies of Radicals by the Unrestricted MINDO/3 Method
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概要
- 論文の詳細を見る
In searching adequate MO theories for calculation of the sizable system of doublet state, the unrestricted version of MINDO/3 has been examined in various radicals to show that the unrestricted MINDO/3 (UMINDO/3) method has an advantage over the conventional MINDO/3 in that it gives faster geometrical and SCF convergences and more accurate vertical ionization energies for π-conjugate radicals.
- 日本質量分析学会の論文
著者
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ICHIKAWA Hiroshi
Hoshi College of Pharmacy
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Nakajima Yukiko
Hoshi College of Pharmacy
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Ogata Michihiko
Hoshi College of Pharmacy
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Ichikawa Hiroshi
Hoshi College Of Phamacy
関連論文
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