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- 2016
- Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
- Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations
- 2015
- Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites
- Ab initio investigation of surface chemistry of alumina ALD on hydroxylated γ-alumina surface
- Functionalization of silica nanoparticles and native silicon oxide with tailored boron-molecular precursors for efficient and predictive p-doping of silicon
- Low temperature atomic layer deposition of crystalline In2O3 films
- DFT investigation into alumina ALD growth inhibition on hydroxylated amorphous silica surface
- Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47(V) framework
- Determination of the nature of the Cu coordination complexes formed in the presence of NO and NH3 within SSZ-13
- 2014
- Effect of binder content in cu-in-se precursor ink on the physical and electrical properties of printed CuInSe2 solar cells