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Calculation of OH-stretching band intensities of the water dimer and trimer

✍ Scribed by Low, Geoffrey R.; Kjaergaard, Henrik G.


Book ID
118136574
Publisher
American Institute of Physics
Year
1999
Tongue
English
Weight
551 KB
Volume
110
Category
Article
ISSN
0021-9606

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The dimerization shift of the OH-stretch
✍ Oscar N. Ventura; Kenneth Irving; Zdzislaw Latajka πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 708 KB

The interpretation of the gas-phase and matrix-isolation vibrational spectra of the water dimer and monomer had led to contradictory conclusions as to the effect of dimerization on the OH-stretching fundamentals. Ab initio MPn/6-3 1 1 + G (2d, 2p) and MPn/ + VPs( 2d)s calculations (with n = 2-4) hav