@article{ISI:000268231000039,
 abstract = {We used molecular dynamics (MD) simulations to study the reorientational
dynamics of water molecules confined inside narrow carbon nanotubes
immersed in a bath of water. Our simulations show that the confined
water molecules exhibit bistability in their reorientational relaxation,
which proceeds by angular jumps between the two stable states. The
angular jump of a water molecule in the bulk involves the breaking of a
hydrogen bond with one of its neighbors and the formation of a hydrogen
bond with a different neighbor. In contrast, the angular jump of a
confined water molecule corresponds to an interchange of the two
hydrogen atoms that can form a hydrogen bond with the same neighbor. The
free energy barrier between these two states is a few k(B)T. The
analytic solution of a simplified two-state jump model that
qualitatively explains the reorientational behavior observed in
simulations is also presented.},
 author = {Mukherjee, Biswaroop and Maiti, Prabal K. and Dasgupta, Chandan and
Sood, A. K.},
 doi = {10.1021/jp904099f},
 eissn = {1520-5207},
 issn = {1520-6106},
 journal = {JOURNAL OF PHYSICAL CHEMISTRY B},
 month = {JUL 30},
 number = {30},
 orcid-numbers = {Maiti, Prabal/0000-0002-9956-1136
Dasgupta, Chandan/0000-0002-0302-1881},
 pages = {10322-10330},
 researcherid-numbers = {Maiti, Prabal/B-6335-2009
},
 times-cited = {28},
 title = {Jump Reorientation of Water Molecules Confined in Narrow Carbon
Nanotubes},
 unique-id = {ISI:000268231000039},
 volume = {113},
 year = {2009}
}