Ontology highlight
ABSTRACT:
SUBMITTER: Ni Y
PROVIDER: S-EPMC3568345 | biostudies-literature | 2013 Feb
REPOSITORIES: biostudies-literature
Ni Yicun Y Gruenbaum Scott M SM Skinner James L JL
Proceedings of the National Academy of Sciences of the United States of America 20130117 6
Using our newly developed explicit three-body (E3B) water model, we simulate the surface of liquid water. We find that the timescale for hydrogen-bond switching dynamics at the surface is about three times slower than that in the bulk. In contrast, with this model rotational dynamics are slightly faster at the surface than in the bulk. We consider vibrational two-dimensional (2D) sum-frequency generation (2DSFG) spectroscopy as a technique for observing hydrogen-bond rearrangement dynamics at th ...[more]