文献
J-GLOBAL ID:201702227331457791
整理番号:17A1431709
開殻分子の一重項および三重項エネルギーギャップのセニョリティベースMOとVB計算の比較研究【Powered by NICT】
A comparative study on seniority-based MO and VB calculations of the singlet and triplet energy gaps of open-shell molecules
著者 (3件):
Zhou Chen
(Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China)
,
Chen Zhenhua
(Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China)
,
Wu Wei
(Collaborative Innovation Center of Chemistry for Energy Materials, The State Key Laboratory of Physical Chemistry of Solid Surfaces, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China)
資料名:
Computational & Theoretical Chemistry
(Computational & Theoretical Chemistry)
巻:
1116
ページ:
86-91
発行年:
2017年
JST資料番号:
W2300A
ISSN:
2210-271X
資料種別:
逐次刊行物 (A)
記事区分:
原著論文
発行国:
オランダ (NLD)
言語:
英語 (EN)