Teitl: Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study - data
Dyfyniad
Hernandez Tamargo C, O'Malley A, de Leeuw NH (2019). Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study - data. Cardiff University. https://doi.org/10.17035/d.2019.0082440884
Hawliau Mynediad: Darperir Data dan drwydded Creative Commons Attribution (CC BY 4.0)
Dull Mynediad: I anfon cais i gael y data hwn, ebostiwch opendata@caerdydd.ac.uk
Manylion y Set Ddata
Cyhoeddwr: Cardiff University
Dyddiad (y flwyddyn) pryd y daeth y data ar gael i'r cyhoedd: 2019
Fformat y data: txt, xlsx
Meddalwedd ofynnol: VESTA
Amcangyfrif o gyfanswm maint storio'r set ddata: Llai na 100 megabeit
DOI : 10.17035/d.2019.0082440884
DOI URL: http://doi.org/10.17035/d.2019.0082440884
Density functional theory calculations and classical molecular dynamics simulations to study the mobility of phenol in purely siliceous and acidic zeolite Beta. The data contains: Research results based upon these data are published at http://doi.org/10.1039/C9CY01548E
Disgrifiad
Prosiectau Cysylltiedig
- Computational study of zeolites as catalysts for the chemical conversion of lignin-derived compounds (07.04.2014 - 30.03.2018)