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机译:Hydrogen bond analysis of confined water in mesoporous silica using the reactive force field
Kyoto Inst Technol, Fac Mat Sci & Engn, Kyoto, Japan;
Natl Def Acad, Dept Appl Phys, Yokosuka, Kanagawa, Japan;
CROSS Neutron Sci & Technol Ctr, Tokai Naka, Japan;
ReaxFF; confined water; hydrogen bond dynamics; mesoporous silica; molecular dynamics simulation; MOLECULAR-DYNAMICS SIMULATIONS; X-RAY-DIFFRACTION; DRUG-DELIVERY; REAXFF; TRANSITION; DIFFUSION; MCM-41; CHARGE; INTERFACE; NANOTUBES;