The properties of water ultra-confined in the calcium-silicate-hydrate (C-S-H) affect the mechanical properties and durability of concrete. In this paper, the structure, bonding, dynamics, as well as mechanical properties of C-S-H with ultra-confined water were characterized based on molecular...
et al. Bonding changes in compressed superhard graphite. Science 302, 425–427 (2003). CAS Google Scholar Li, Q. et al. Superhard monoclinic polymorph of carbon. Phys. Rev. Lett. 102, 175506 (2009). Google Scholar Umemoto, K., Wentzcovitch, R. M., Saito, S. & Miyake, T. ...
Photoelectron energy shifts from main peak positions suggest that immediately after fracture in ultra-high vacuum, bond reconfiguration leads to the formation of carbide-like bonds between Ca and C at the surface. Calcite that has been exposed to water, even as vapour from the atmosphere, shows ...
One of the amide nitrogens is hydrogen bonded to a chlorate oxygen. In addition, hydrogen bondingbetween an amide nitrogen and an uncoordinated water molecule results in the formation of infinite chains parallel to [100]. Calcium-oxygen distances fall within the range 2.41–2.44 Å....
Crystal structure and bonding in the high-pressure form of fluorite (CaF 2) Single crystals of CaF 2 in the PbCl 2 structure were grown at high pressure in a molten calcium hydroxide flux, and the structure was refined by single cr... E Morris,T Groy,K Leinenweber - 《Journal of the...
Journal of Coordination ChemistryStarosta, Wojciech,Leciejewicz, Janusz.Two-dimensional molecular pattern in the structure of a calcium(II) complex with pyrazine-2,3-dicarboxylate and water ligands. Journal of Coordination Chemistry . 2005Starosta, W.; Leciejewicz, J.: Two-dimensional molecular ...
calcium compoundscritical pointsdensity functional theoryhydrogen bondsmolecular configurationsperturbation theoryquantum chemistry/ molecular structuredihydrogen bondingquantum chemistrySecond-order Mller-Plesset (MP2) and density functional theory (DFT) calculations have been carried out in order to investigate ...
C. Hydrogen bonding and other non-covalent interactions at the surfaces of cellulose microfibrils. Cellulose 30, 667–687 (2023). Article CAS Google Scholar Zhang, Q., Brumer, H., Agren, H. & Tu, Y. The adsorption of xyloglucan on cellulose: effects of explicit water and side chain ...
Although Q2(Ca) and Q2b are in different chemical states, and the presence of Ca2+ ions in bridging sites for charge compensation significantly influences its hydrogen bonding, the chemical shifts for the two types of silicate tetrahedra are similar to each other according to the NMR experiments...
or a mixture of inorganic materials that sets and develops strength by chemical reaction with water by formation of hydrates and is capable of doing so under water.” There are various natural and industrial materials that have cementing characteristics and can create bonding when mixed with water....