Relativistic density functional calculations for potential energy curves of uranyl nitrate hydrate

Hirata, Masaru ; Bastug, T.*; Tachimori, Shoichi; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*

no abstracts in English

Language	:	English
Journal	:	Advances in Quantum Chemistry, Volume 37
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Pages	:	p.325 - 333
Publication Year/Month	:	2001/00
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Paper URL	:	https://doi.org/10.1016/S0065-3276(00)37023-X
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Keywords	:	相対論密度汎関数法; 硝酸ウラニル錯体; ポテンシャル曲線; アクチノイド化学; 電子状態; 5f電子; 化学結合; 全エネルギー計算
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Registration No. : A19980543
JAEA Abstracts No. : 290322
Paper Submission No. : 17984

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