Recent developments in the molecular modeling of diffusion in nanoporous materials

By David Dubbeldam, Randall Q. Snurr. 2007

173 citations recorded by the source corpus.

Subfields: Inorganic Chemistry, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/90f54072706efcd0c7c1995facb38475a9d99101

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Inorganic Chemistry

1. D. Ellis
2. Sofía Calero
3. Randall Q. Snurr
4. David Dubbeldam
5. O. Farha
6. J. Hupp

In Spectroscopy

1. D. Ellis
2. Sofía Calero
3. Randall Q. Snurr
4. David Dubbeldam

Citations in the corpus

• A new perspective on the order-n algorithm for computing correlation functions (2009, background): “Similar equations exist for computing transport (collective) diffusion [15,18,19].”
• RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials (2016, methodology): “a [Å] b [Å] c [Å] a [8] b [8] g [8] a [Å] b [Å] c [Å] a [8] b [8] g [8]”