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Dipole Moment, Hydrogen Bonding and IR Spectrum of Confined Water

✍ Scribed by François-Xavier Coudert; Rodolphe Vuilleumier; Anne Boutin

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
82 KB
Volume
7
Category
Article
ISSN
1439-4235

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Recewed 27 July 1981 Quadratic. cubic and quartic force constants assocmted v&h the proton bridge of F-H ..NCH. and derivatwes, up to thud order, of the electric &pole moment have been computed at the SCF level. 6-31 spht-valence and 00~6~) Dunning basis sets have been used to mvestigate the related

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