Interactions Between Dehydrobenzo [12] annulene (DBA) and Gas Molecules: Do the Preorganized Acetylenes Work Cooperatively?
Interactions Between Dehydrobenzo [12] annulene (DBA) and Gas Molecules: Do the Preorganized Acetylenes Work Cooperatively?
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脱氢苯并[12]轮烯 (DBA) 和气体分子之间的相互作用：预组织乙炔能协同工作吗？
DOI：
10.1039/c2cp43091f
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发表时间：
2012
影响因子：
3.3
通讯作者：
Mikiji Miyata
中科院分区：
文献类型：
--
作者：
Ichiro Hisaki;Daisuke Yasumiya;Hajime Shigemitsu;Seiji Tsuzuki;Norimitsu Tohnai;Mikiji Miyata
用高水平从头计算方法研究了环状共轭分子（DBA）与氢、氮和二氧化碳分子的相互作用。
Intermolecular interactions of the cyclic conjugated molecule (DBA) with hydrogen, nitrogen and carbon dioxide molecules were evaluated by high level ab initio calculations.