Evaluation of the intramolecular hydrogen bond enthalpy by means of specialized quantum chemical methods
By means of the MNDO/H, I-MNDO, MNDO/HB andMNDO/Mmethods, the values of the enthalpy of intramolecular hydrogen bond (IHB) formation for series of substances have been computed. The applicability of these methods for a semi-quantitative estimation of the IHB enthalpy in compounds with a planar quasi...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Serbian Chemical Society
2007-02-01
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| Series: | Journal of the Serbian Chemical Society |
| Subjects: | |
| Online Access: | http://www.shd.org.yu/JSCS/Vol72/No2/JSCS_V72_No02-08.pdf |