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A comparative study of the MQD method and several correlation-based PIV evaluation algorithms

✍ Scribed by L. Gui; W. Merzkirch


Publisher
Springer
Year
2000
Tongue
English
Weight
747 KB
Volume
28
Category
Article
ISSN
0723-4864

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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