Evaluation of the intramolecular hydrogen bond enthalpy by means of specialized quantum chemical methods

Evaluation of the intramolecular hydrogen bond enthalpy by means of specialized quantum chemical methods

By means of the MNDO/H, I-MNDO, MNDO/HB and MNDO/M methods, 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 qua...

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Bibliographic Details
Main Authors:	Pankratov Alexei N., Shalabay Alexei V.
Format:	Article
Language:	English
Published:	Serbian Chemical Society 2007-01-01
Series:	Journal of the Serbian Chemical Society
Subjects:	intramolecular hydrogen bond enthalpy quantum chemical evaluation organic compounds with a planar quasicycle
Online Access:	http://www.doiserbia.nb.rs/img/doi/0352-5139/2007/0352-51390702151P.pdf

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