Abstract In this paper, two empirical approaches were used to calculate vibrational zero-point energies (ZPEs) of organoboron compounds. Firstly, the contribution of boron atom has been determined and incorporated in the Schulman and Disch empirical formula. For the second approach, the bond contributions of B H, B C, B O, B Cl, B N, B F and B B were determined and introduced to our empirical formula already established. A comparison of results obtained for 120 organoboron compounds with the reported available values and those obtained using HF/6-31G* method, indicates the reliability of the empirical employed approaches to reproduce vibrational zero-point energies of organoboron compounds.

中文翻译：

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有机硼化合物振动零点能量计算的可行方法

摘要 本文采用两种经验方法计算有机硼化合物的振动零点能（ZPE）。首先，硼原子的贡献已被确定并纳入 Schulman 和 Disch 经验公式。对于第二种方法，确定了 BH、BC、BO、B Cl、BN、BF 和 BB 的键贡献，并将其引入到我们已经建立的经验公式中。将 120 种有机硼化合物获得的结果与报告的可用值与使用 HF/6-31G* 方法获得的结果进行比较，表明重现有机硼化合物振动零点能量的经验方法的可靠性。