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https://doi.org/10.1002/jcc.540141112

has been cited by the following article:

• TITLE: Water Molecules in the Carbon C60 Confined Space

  AUTHORS: M. Baskar, N. Sathyan, T. R. Gopalakrishnan Nair

  KEYWORDS: Endohedral, Fullerene C60, Ab-Initio, Water Trimer, Carbon Confined Space, Dipole

  JOURNAL NAME: Journal of Biophysical Chemistry, Vol.9 No.2, May 31, 2018

  ABSTRACT: Experimental scenario of the world being successful in planting water molecule at binary level in fullerene C70 is of utmost importance to pursue the theoretical properties of predictive triple water molecules and poly water molecules in Vander Waals confined space like fullerenes. Here, we present a paper in these lines of exploration of embedding triple water molecules in a Carbon confined space through the studies of behavior of three water molecules in Fullerene C60 by ab-initio methods. This heterogeneous system manifests cyclic hydrogen bonds which may be working with flipping actions. The unusual structural property of water trimers is reported. There exists a dipole moment of 0.9 ± 0.1 Debye which indicates the probable semiconductor properties.