V. Shilpi, Surinder Kaur, C. N. Ramachandran
Abstract
The fused cages of dodecahedral and irregular-dodecahedral water cages with the maximum number of t1d hydrogen bonds were studied using the dispersion corrected density functional method.
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The fused cages of dodecahedral and irregular-dodecahedral water cages with the maximum number of t1d hydrogen bonds were studied using the dispersion corrected density functional method.
Key concepts: Dodecahedron, Density functional theory, Materials science, Crystallography, Hydrogen bond, Dispersion (optics), Chemistry, Computational chemistry