37 results on '"Bobbitt, N. Scott"'
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2. Applying design principles to improve hydrogen storage capacity in nanoporous materials
3. Water adsorption on MoS2 under realistic atmosphere conditions and impacts on tribology
4. Compositionally graded joints between magnetically dissimilar alloys achieved through directed energy deposition
5. Topological effects on separation of alkane isomers in metal−organic frameworks
6. Inverse design of nanoporous crystalline reticular materials with deep generative models
7. Structure and activity of mixed VOx-CeO2 domains supported on alumina in cyclohexane oxidative dehydrogenation
8. Structurally Driven Environmental Degradation of Friction in MoS2 Films
9. Single-Component Adsorption Equilibria of CO2, CH4, Water, and Acetone on Tapered Porous Carbon Molecular Sieves
10. Water adsorption on MoS2 under realistic atmosphere conditions and impacts on tribology.
11. Machine learning predictions of diffusion in bulk and confined ionic liquids using simple descriptors.
12. MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials
13. Evidence of Twinning-Induced Plasticity (Twip) and Ultrahigh Hardness in Additively Manufactured Near-Eutectic Ni-Nb
14. Interactions of Water with Pristine and Defective MoS2
15. Twinning-Induced Plasticity and Ultrahigh Hardness in Additively Manufactured Ni-Nb
16. Applying design principles to improve hydrogen storage capacity in nanoporous materials
17. Interactions of Water with Pristine and Defective MoS2.
18. Physicochemical characterization of dilute n-alcohol/biodiesel mixtures by inverse gas chromatography
19. Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models
20. Prediction of hydrogen adsorption in nanoporous materials from the energy distribution of adsorption sites
21. Structurally Driven Environmental Degradation of Friction in MoS2 Films.
22. Real-space pseudopotential study of vibrational properties and Raman spectra in Si-Ge core-shell nanocrystals.
23. A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals.
24. Real space pseudopotential calculations for size trends in Ga- and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures.
25. Molecular modelling and machine learning for high-throughput screening of metal-organic frameworks for hydrogen storage
26. Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks
27. Competitive Adsorption of Methyl Bromide and Water on Metal Catecholates: Insights from Density Functional Theory
28. Interactions of VOx Species with Amorphous TiO2 Domains on ALD-Derived Alumina-Supported Materials
29. Tunable Crystallinity and Charge Transfer in Two‐Dimensional G‐Quadruplex Organic Frameworks
30. Ab Initio Screening of Metal Catecholates for Adsorption of Toxic Pnictogen Hydride Gases
31. Metal–organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents
32. High-Throughput Screening of Metal–Organic Frameworks for Hydrogen Storage at Cryogenic Temperature
33. Interactions of VOx Species with Amorphous TiO2 Domains on ALD-Derived Alumina-Supported Materials.
34. Interactions of VOxSpecies with Amorphous TiO2Domains on ALD-Derived Alumina-Supported Materials
35. Single-Component Adsorption Equilibria of CO 2 , CH 4 , Water, and Acetone on Tapered Porous Carbon Molecular Sieves.
36. Water adsorption on MoS 2 under realistic atmosphere conditions and impacts on tribology.
37. High order forces and nonlocal operators in a Kohn-Sham Hamiltonian.
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