Concepedia

High-throughput screening of metal – Organic frameworks for CO2 and CH4 separation in the presence of water

Justyna Rogacka, Agnieszka Seremak, Azahara Luna‐Triguero, Filip Formalik, I. Matito-Martos, Lucyna Firlej, Sofı́a Calero, Bogdan Kuchta

Chemical Engineering Journal · 2020 · 99 citations · 73 references

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Concepts

References

73

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

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The Cambridge Structural Database

Colin R. Groom, Ian Bruno, Matthew P. Lightfoot et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 10.1K citations · Full text

, , +15

Design and synthesis of an exceptionally stable and highly porous metal-organic framework

Hailian Li, Mohamed Eddaoudi, M. O’Keeffe et al. · Nature · 1999 · 8.4K citations · Full text

, , +7

DREIDING: a generic force field for molecular simulations

Stephen L. Mayo, Barry D. Olafson, William A. Goddard · The Journal of Physical Chemistry · 1990 · 6.5K citations

, , +15