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List of works by Emmanuel Haldoupis

Ab Initio Derived Force Fields for Predicting CO2 Adsorption and Accessibility of Metal Sites in the Metal–Organic Frameworks M-MOF-74 (M = Mn, Co, Ni, Cu)

article by Emmanuel Haldoupis et al published 6 July 2015 in Journal of Physical Chemistry C

Accelerated Computational Analysis of Metal–Organic Frameworks for Oxidation Catalysis

CO2 Adsorption in M-IRMOF-10 (M = Mg, Ca, Fe, Cu, Zn, Ge, Sr, Cd, Sn, Ba)

Efficient calculation of diffusion limitations in metal organic framework materials: a tool for identifying materials for kinetic separations

scientific article published on 01 June 2010

Finding MOFs for highly selective CO2/N2 adsorption using materials screening based on efficient assignment of atomic point charges

scientific article (publication date: 7 March 2012)

Pore size analysis of >250 000 hypothetical zeolites ⬇️

scientific article published on February 2, 2011

Quantifying large effects of framework flexibility on diffusion in MOFs: CH4 and CO2 in ZIF-8

scientific article published on 18 July 2012

Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks

scientific article published on 16 May 2016

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