万花筒 发表于 2025-3-23 12:04:11
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<Überlegungen und Entwürfe zur Disposition>f five hydrogen molecules. Gas phase optimizations at the B3LYP/6-31G(d) level followed by implicit solvation modeling with CPCM (Conductor-like polarized model) are used to provide insights into the reaction mechanism.POWER 发表于 2025-3-23 23:34:41
http://reply.papertrans.cn/19/1899/189889/189889_14.png巧思 发表于 2025-3-24 02:44:44
http://reply.papertrans.cn/19/1899/189889/189889_15.png江湖郎中 发表于 2025-3-24 08:10:54
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<Überlegungen und Entwürfe zur Disposition>ng of the current century witnessed comprehensive understanding of bonding in these extended systems. Here, we address the various bonding features exhibited by boron-based large polyhedral systems with the scaling of the system size, their electronic and structural preferences.协定 发表于 2025-3-24 21:55:17
http://reply.papertrans.cn/19/1899/189889/189889_19.pngbronchodilator 发表于 2025-3-25 01:13:58
Challenges and Advances in Computational Chemistry and Physicshttp://image.papertrans.cn/b/image/189889.jpg