Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 45(19), p. 30740-30748, 2017
DOI: 10.1039/c7cp06472a
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Vibrational states of nano-confined water molecules in beryl investigated by first-principles calculations and optical experiments
Journal article published in 2017 by
M. A. Belyanchikov 
,
E. S. Zhukova,
S. Tretiak ,
A. Zhugayevych,
M. Dressel,
F. Uhlig ,
J. Smiatek ,
M. Fyta ,
V. G. Thomas ,
B. P. Gorshunov
,
E. S. Zhukova,
S. Tretiak ,
A. Zhugayevych,
M. Dressel,
F. Uhlig ,
J. Smiatek ,
M. Fyta ,
V. G. Thomas ,
B. P. Gorshunov
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Abstract
Using the DFT approach and optical spectroscopy, we provide a comprehensive analysis of IR excitation of water molecules confined in beryl nanopores.