@article{1f40ebc0794749af80e6f7e7c2cfb2d5,
title = "Mechanical Properties from Periodic Plane Wave Quantum Mechanical Codes: The Challenge of the Flexible Nanoporous MIL-47(V) Framework",
keywords = "METAL-ORGANIC-FRAMEWORK, NORMAL-MODE ANALYSIS, STRUCTURAL TRANSITION, NEUTRON-SCATTERING, ADSORPTION, STATE, STRESS, MIL-53, CO2, THERMODYNAMICS",
author = "Vanpoucke, {Danny E. P.} and Kurt Lejaeghere and {Van Speybroeck}, Veronique and Michel Waroquier and An Ghysels",
year = "2015",
month = oct,
day = "15",
doi = "10.1021/acs.jpcc.5b06809",
language = "English",
volume = "119",
pages = "23752--23766",
journal = "Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "41",
}