Dennis Salahub
0000-0002-9848-3762
4 papers found
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Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations
Computational investigation of Ba2ZrTiO6 double perovskite for optoelectronic and thermoelectric applications
Benchmarking polarizable and non-polarizable force fields for Ca2+–peptides against a comprehensive QM dataset
Density-functional-based tight-binding parameterization of Mo, C, H, O and Si for studying hydrogenation reactions on molybdenum carbide
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