Article ID Journal Published Year Pages File Type
5382371 Chemical Physics Letters 2012 5 Pages PDF
Abstract
► The vibrational spectrum of the water dimer is analyzed at CCSD(T)/CBS. ► All normal vibrational modes are decomposed in terms of local vibrational modes. ► Normal modes are adiabatically connected to their local vibrational modes. ► The local H-bond stretching frequency at 528 cm−1 reflects the H-bond strength. ► The corresponding normal mode value at 143 cm−1 results from mode-mode coupling.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Local vibrational modes of the water dimer - Comparison of theory and experiment
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