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Cooperative interactions of hydrogen bonds in proton-transfer processes involving water molecules. Simulation of biochemical systems

✍ Scribed by A. N. Isaev

Book ID
111459630
Publisher
Springer
Year
2008
Tongue
English
Weight
402 KB
Volume
78
Category
Article
ISSN
1070-3632

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πŸ“œ SIMILAR VOLUMES

Cooperative effects in extended hydrogen
Cooperative effects in extended hydrogen bonded systems involving OH groups. Ab initio studies of the cyclic S4 water tetramer
✍ J. E. H. Koehler; W. Saenger; B. Lesyng πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 858 KB

The additional energy stabilization due to cooperative effects was calculated in extended hydrogen bonded systems O-H..\*O-H.-.O-H with unidirectional (homodromic) orientation of the 0-H groups. A b initio restricted Hartree Fock, MP2 and MP3 calculations with geometry optimization and BSSE correcti