27 results on '"Bobbitt, N. Scott"'
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2. Applying design principles to improve hydrogen storage capacity in nanoporous materials
3. Compositionally graded joints between magnetically dissimilar alloys achieved through directed energy deposition
4. Topological effects on separation of alkane isomers in metal−organic frameworks
5. Inverse design of nanoporous crystalline reticular materials with deep generative models
6. Structure and activity of mixed VOx-CeO2 domains supported on alumina in cyclohexane oxidative dehydrogenation
7. Structurally Driven Environmental Degradation of Friction in MoS2 Films
8. Water adsorption on MoS2 under realistic atmosphere conditions and impacts on tribology.
9. Machine learning predictions of diffusion in bulk and confined ionic liquids using simple descriptors.
10. MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials.
11. Interactions of Water with Pristine and Defective MoS2.
12. Physicochemical characterization of dilute n-alcohol/biodiesel mixtures by inverse gas chromatography
13. Structurally Driven Environmental Degradation of Friction in MoS2 Films.
14. Real-space pseudopotential study of vibrational properties and Raman spectra in Si-Ge core-shell nanocrystals.
15. A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals.
16. Real space pseudopotential calculations for size trends in Ga- and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures.
17. Prediction of hydrogen adsorption in nanoporous materials from the energy distribution of adsorption sites.
18. Molecular modelling and machine learning for high-throughput screening of metal-organic frameworks for hydrogen storage.
19. Interactions of VOx Species with Amorphous TiO2 Domains on ALD-Derived Alumina-Supported Materials.
20. Energy-based descriptors to rapidly predict hydrogen storage in metal-organic frameworks.
21. Competitive Adsorption of Methyl Bromide and Water on Metal Catecholates: Insights from Density Functional Theory.
22. Tunable Crystallinity and Charge Transfer in Two‐Dimensional G‐Quadruplex Organic Frameworks.
23. Metal–organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents.
24. Single-Component Adsorption Equilibria of CO 2 , CH 4 , Water, and Acetone on Tapered Porous Carbon Molecular Sieves.
25. Water adsorption on MoS 2 under realistic atmosphere conditions and impacts on tribology.
26. Interactions of Water with Pristine and Defective MoS 2 .
27. High order forces and nonlocal operators in a Kohn-Sham Hamiltonian.
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