Localized and Overall Properties Related to the Nature and Structural Organization of the Framework Atoms

Gretchen C. Daily, Tore Söderqvist, Sara Aniyar, Kenneth J. Arrow, Partha Dasgupta, Paul R. Ehrlich, Carl Folke, Ann-Mari Jansson, Bengt‐Owe Jansson, Nils Kautsky, Simon A. Levin, Jane Lubchenco, Karl-Göran Mäler, David A. Simpson, David A. Starrett, David Tilman, Brian Walker

Preprint2018

Benchmarking of the DFT methods for accurate description of structural properties of MOFs

Filip Formalik, Manfred M. Fischer, Justyna Rogacka, Lucyna Firlej, Bogdan Kuchta

HAL (Le Centre pour la Communication Scientifique Directe)

Localized and Overall Properties Related to the Nature and Structural Organization of the Framework Atoms

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Benchmarking of the DFT methods for accurate description of structural properties of MOFs