期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 5, 期 15, 页码 3100-3105出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b304952c
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We have calculated the fundamental and overtone OH-stretching and HOH-bending vibrational spectrum of the water dimer up to 20 000 cm(-1). The calculated frequencies and intensities of the transitions up to 8000 cm(-1) agree well with previously recorded matrix isolation spectra. We compare our calculated spectrum of the water dimer to the observed water monomer spectrum, and suggest regions in which spectral features due to the water dimer are most likely to be observed in the laboratory and our atmosphere.
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