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Published in 2018 at "Molecular Simulation"
DOI: 10.1080/08927022.2018.1475739
Abstract: Abstract We present an ab initio molecular dynamics study of the roles of fluctuating hydrogen bonds and free ND modes in the dynamics of ND stretch frequency fluctuations in deuterated liquid ammonia. We have also…
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Keywords:
frequency fluctuations;
hydrogen;
hydrogen bonds;
time ... See more keywords