Journal of Computer Chemistry, Japan
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SCCJ Cafe – Season 3 –北欧の理論化学 (4)「垂直常磁性結合」
渥美 裕子
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ジャーナル フリー

12 巻 (2013) 4 号 p. A26-A28

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In 2012 Lange et al. suggested a distinct bonding mechanism: perpendicular paramagnetic bonding, generated by the stabilization of antibonding orbitals in their perpendicular orientation relative to an external magnetic field. The perpendicular paramagnetic bonding explains the bonding of H2 in the 3Σu+(1σgu*) triplet state and of He2 in the 1Σg+(1σg2u*2) singlet state, as well as their preferred perpendicular orientation in the external field. In this paper, the culture of quantum chemistry and life in Norway are also briefly touched upon.

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© 2013 日本コンピュータ化学会
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