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Study of correlation effects on stretching force constants of the hydrogen-bonded complex F-H·OH2

✍ Scribed by Y. Bouteiller; M. Allavena; J.M. Leclercq

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
367 KB
Volume
84
Category
Article
ISSN
0009-2614

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✦ Synopsis

Al1 quadratic, cubicand quartic force constantsassociated with the VF_H and VF_H.__O stretching of F-H---OH+ have been computed employing the confiiuratbn interaction approach. The contribution of quadrupole excitations was also estimated. The Y~__~, ZJ~H.. .Q modes and the deuterated analoguis have been reconstructed using ail the computed force constants.

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