Open AccessTransition State Theory Methods To Measure Diffusion in Flexible Nanoporous Materials: Application to a Porous Organic Cage Crystal
Author(s) -
Jeffrey S. Camp,
David S. Sholl
Publication year - 2015
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.5b11111
Subject(s) - nanoporous , diffusion , molecular dynamics , materials science , porous medium , transition state theory , porosity , chemical physics , crystal (programming language) , gaseous diffusion , nanotechnology , statistical physics , chemistry , thermodynamics , computational chemistry , physics , computer science , composite material , classical mechanics , electrode , reaction rate constant , kinetics , programming language
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