A Force Field for Poly(oxymethylene) Dimethyl Ethers (OMEn)
Kulkarni, Aditya, García, Edder J, Damone, Angelo, Schappals, Michael, Stephan, Simon, Kohns, Maximilian, Hasse, Hans
Published in Journal of chemical theory and computation (14.04.2020)
Published in Journal of chemical theory and computation (14.04.2020)
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Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom
Schappals, Michael, Mecklenfeld, Andreas, Kröger, Leif, Botan, Vitalie, Köster, Andreas, Stephan, Simon, García, Edder J, Rutkai, Gabor, Raabe, Gabriele, Klein, Peter, Leonhard, Kai, Glass, Colin W, Lenhard, Johannes, Vrabec, Jadran, Hasse, Hans
Published in Journal of chemical theory and computation (12.09.2017)
Published in Journal of chemical theory and computation (12.09.2017)
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Tuning the Adsorption Properties of Zeolites as Adsorbents for CO2 Separation: Best Compromise between the Working Capacity and Selectivity
García, Edder J, Pérez-Pellitero, Javier, Pirngruber, Gerhard D, Jallut, Christian, Palomino, Miguel, Rey, Fernando, Valencia, Susana
Published in Industrial & engineering chemistry research (11.06.2014)
Published in Industrial & engineering chemistry research (11.06.2014)
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Quantification of the confinement effect in microporous materials
GARCIA, Edder J, PEREZ-PELLITERO, Javier, JALLUT, Christian, PIRNGRUBER, Gerhard D
Published in Physical chemistry chemical physics : PCCP (21.04.2013)
Published in Physical chemistry chemical physics : PCCP (21.04.2013)
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A molecular dynamics simulation scenario for studying solvent-mediated interactions of polymers and application to thermoresponse of poly(N-isopropylacrylamide) in water
García, Edder J., Bhandary, Debdip, Horsch, Martin T., Hasse, Hans
Published in Journal of molecular liquids (15.10.2018)
Published in Journal of molecular liquids (15.10.2018)
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Role of Structure and Chemistry in Controlling Separations of CO2/CH4 and CO2/CH4/CO Mixtures over Honeycomb MOFs with Coordinatively Unsaturated Metal Sites
García, Edder J, Mowat, John P. S, Wright, Paul A, Pérez-Pellitero, Javier, Jallut, Christian, Pirngruber, Gerhard D
Published in Journal of physical chemistry. C (20.12.2012)
Published in Journal of physical chemistry. C (20.12.2012)
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Journal Article
Tuning the Adsorption Properties of Zeolites as Adsorbents for CO 2 Separation: Best Compromise between the Working Capacity and Selectivity
García, Edder J., Pérez-Pellitero, Javier, Pirngruber, Gerhard D., Jallut, Christian, Palomino, Miguel, Rey, Fernando, Valencia, Susana
Published in Industrial & engineering chemistry research (11.06.2014)
Published in Industrial & engineering chemistry research (11.06.2014)
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Quantification of the confinement effect in microporous materialsElectronic supplementary information (ESI) available: Exact definition of the curvature in three dimensions and details of the adsorption data used in Fig. 8. See DOI: 10.1039/c3cp44375b
García, Edder J, Pérez-Pellitero, Javier, Jallut, Christian, Pirngruber, Gerhard D
Year of Publication 20.03.2013
Year of Publication 20.03.2013
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Journal Article
Role of Structure and Chemistry in Controlling Separations of CO 2 /CH 4 and CO 2 /CH 4 /CO Mixtures over Honeycomb MOFs with Coordinatively Unsaturated Metal Sites
García, Edder J., Mowat, John P. S., Wright, Paul A., Pérez-Pellitero, Javier, Jallut, Christian, Pirngruber, Gerhard D.
Published in Journal of physical chemistry. C (20.12.2012)
Published in Journal of physical chemistry. C (20.12.2012)
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Tuning the Adsorption Properties of Zeolites as Adsorbents for CO sub(2) Separation: Best Compromise between the Working Capacity and Selectivity
Garcia, Edder J, Perez-Pellitero, Javier, Pirngruber, Gerhard D, Jallut, Christian, Palomino, Miguel, Rey, Fernando, Valencia, Susana
Published in Industrial & engineering chemistry research (11.06.2014)
Published in Industrial & engineering chemistry research (11.06.2014)
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