硼氢化物的共振能和ΔH(原子化)

William C. Herndon, M.Lawrence Ellzey Jr.
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引用次数: 3

摘要

图理论技术可用于计算硼氢化物的双中心双电子价键结构。原子化热可以与基于末端和桥接BH键、最近邻硼原子对和共振能量估计的4项线性方程相关联。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Resonance energies and ΔH(atomization) for boron hydrides

Graph-theoretical techniques can be used to count two-center two-electron valence bond structures for boron hydrides. The heats of atomization can be correlated with a 4 term linear equation based on the numbers of terminal and bridging BH bonds, nearest-neighbor boron atom pairs, and an estimate of resonance energy.

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