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How to estimate the intramolecular hydrogen-bond energy of complex RAHB systems? A theoretical study

✍ Scribed by Nowroozi, A.; Hajiabadi, H.


Book ID
120474539
Publisher
Springer
Year
2013
Tongue
English
Weight
319 KB
Volume
25
Category
Article
ISSN
1040-0400

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## Abstract MP2 study of Oο£ΏH…N intramolecular hydrogen bond (IMHB) in 3‐imino‐propen‐1‐ol and its derivatives were performed and their IMHB energies were obtained using the related rotamers and open‐close methods. Also the topological properties of electron density distribution and charge transfer