PROTONATED ALDEHYDE CLUSTERS - A SEMIEMPIRICAL APPROACH

被引：5

作者：

AVIYENTE, V

VARNALI, T

机构：

[1] Boǧaziçi University, F.E.F. Kimya

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1993年 / 299卷

关键词：

D O I：

10.1016/0022-2860(93)80294-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The objective was to study the structure and bonding in hydrogen-bonded complexes. The MOPAC program package was used to determine the optimum geometries, charge distributions, total charges and stabilization energies of protonated formaldehyde dimers and protonated acetaldehyde clusters. Their mass spectra have previously been observed.

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页码：191 / 195

页数：5

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