Properties of a Ring Critical Pointas Measures of Intramolecular H-Bond Strength
作者： Sławomir J. Grabowski
DOI: 10.1007/S00706-002-0498-3
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摘要: The topological parameters derived from the Bader theory such as electron density and its Laplacian at ring critical point (RCP) are analysed here possible measures of H-bond stength for intramolecular H-bonds. RCP correlate well with other properties H-bonds which known good strength. calculations were performed on two samples compounds H-bonds: derivatives malonaldehyde o-hydroxybenzaldehyde. MP2 HF carried out using a 6-311++G** basis set.
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