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Quantifying Hydrogen Bond Cooperativity in Water: VRT Spectroscopy of the Water Tetramer

โœ Scribed by Cruzan, J. D.; Braly, L. B.; Liu, K.; Brown, M. G.; Loeser, J. G.; Saykally, R. J .

Book ID
121155603
Publisher
American Association for the Advancement of Science
Year
1996
Tongue
English
Weight
201 KB
Volume
271
Category
Article
ISSN
0036-8075

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Cooperative effects in extended hydrogen
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โœ J. E. H. Koehler; W. Saenger; B. Lesyng ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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