Structural Position Of H2O Molecules And Hydrogen Bonding In Anomalous 11 Å Tobermorite

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Structural position of H2O molecules and hydrogen bonding in

Structural position of H 2 O molecules and hydrogen bonding in anomalous 11 Å tobermorite Sergey V. Churako V * Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland ab S tra C t For the first time, the structure and dynamics of H 2 O in the interlayer of anomalous 11 Å tobermorite have been analyzed based on ab initio molecular dynamics