Structure and Diffusive Properties of Water in Polymer Hydrogels

Using Car-Parrinello simulations and microscopic order descriptors to reveal two locally favored structures with distinct molecular dipole moments and dynamics in ambient liquid water

(2022) Ioannis Skarmoutsos et al.   JOURNAL OF MOLECULAR LIQUIDS

Membranes with different hydration levels: The interface between bound and unbound hydration water

(2018) Carles Calero et al.   JOURNAL OF MOLECULAR LIQUIDS

Phase Transition Dynamics of Three Types of Water within Poly(N,N-dimethylacrylamide) Hydrogels

(2016) Yuki Takeuchi et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Structural changes of water in poly(vinyl alcohol) hydrogel during dehydration

(2014) Kushi Kudo et al.   JOURNAL OF CHEMICAL PHYSICS

Building Force Fields: An Automatic, Systematic, and Reproducible Approach

(2014) Lee-Ping Wang et al.   Journal of Physical Chemistry Letters

Dependence of structure of polymer side chain on water structure in hydrogels

(2014) Yurina Sekine et al.   POLYMER

Effects of crosslinker density on the polymer network structure in poly-N,N-dimethylacrylamide hydrogels

(2013) Tomoko Ikeda-Fukazawa et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

The Amber ff99 Force Field Predicts Relative Free Energy Changes for RNA Helix Formation

(2012) Aleksandar Spasic et al.   Journal of Chemical Theory and Computation

Temperature Dependence of the Structure of Bound Water in Dried Glassy Poly-N,N,-dimethylacrylamide

(2010) Yurina Sekine et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structural changes of water in a hydrogel during dehydration

(2009) Yurina Sekine et al.   JOURNAL OF CHEMICAL PHYSICS