RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

By David Dubbeldam, Sofía Calero, D. Ellis, Randall Q. Snurr. 2016

1,736 citations recorded by the source corpus.

Subfields: Biomedical Engineering, Inorganic Chemistry, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/8c61d29a3a39f5e8d4a6fdd4d869c7038dee16d0

How researchers see this paper

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

In Biomedical Engineering

1. B. Slater
2. David S. Sholl
3. Randall Q. Snurr

In Inorganic Chemistry

1. David S. Sholl
2. Randall Q. Snurr
3. Maciej Haranczyk
4. Jeffrey S. Camp
5. Benjamin J. Bucior
6. Yongchul G. Chung
7. Seda Keskin
8. O. Farha

In Materials Chemistry

1. David S. Sholl
2. Maciej Haranczyk
3. Randall Q. Snurr
4. B. Slater
5. O. Farha
6. J. Hupp

Citations in the corpus

• Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019 (2019, methodology): “GCMC simulations were carried out using the RASPA software package.(55) Stability Calculations.”
• Evaluating topologically diverse metal–organic frameworks for cryo-adsorbed hydrogen storage (2016, neutral): “744(3) Volume (Å3) 102136(12) Z 8 Density (g·cm-3) 0.”