Dubbeldam D - Search Results

1

Potential of polarizable force fields for predicting the separation performance of small hydrocarbons in M-MOF-74.

Becker TM , Luna-Triguero A , Vicent-Luna JM , Lin LC , Dubbeldam D , Calero S , Vlugt TJH . Becker TM , et al. Among authors: dubbeldam d. Phys Chem Chem Phys. 2018 Nov 21;20(45):28848-28859. doi: 10.1039/c8cp05750h. Phys Chem Chem Phys. 2018. PMID: 30420977

2

Polarizable Force Fields for CO₂ and CH₄ Adsorption in M-MOF-74.

Becker TM, Heinen J, Dubbeldam D, Lin LC, Vlugt TJ. Becker TM, et al. Among authors: dubbeldam d. J Phys Chem C Nanomater Interfaces. 2017 Mar 2;121(8):4659-4673. doi: 10.1021/acs.jpcc.6b12052. Epub 2017 Jan 31. J Phys Chem C Nanomater Interfaces. 2017. PMID: 28286598 Free PMC article.

3

Polarizable Force Field for CO₂ in M-MOF-74 Derived from Quantum Mechanics.

Becker TM, Lin LC, Dubbeldam D, Vlugt TJH. Becker TM, et al. Among authors: dubbeldam d. J Phys Chem C Nanomater Interfaces. 2018 Oct 25;122(42):24488-24498. doi: 10.1021/acs.jpcc.8b08639. Epub 2018 Oct 9. J Phys Chem C Nanomater Interfaces. 2018. PMID: 30774742 Free PMC article.

4

Absorption Refrigeration Cycles with Ammonia-Ionic Liquid Working Pairs Studied by Molecular Simulation.

Becker TM, Wang M, Kabra A, Jamali SH, Ramdin M, Dubbeldam D, Infante Ferreira CA, Vlugt TJH. Becker TM, et al. Among authors: dubbeldam d. Ind Eng Chem Res. 2018 Apr 18;57(15):5442-5452. doi: 10.1021/acs.iecr.8b00442. Epub 2018 Mar 29. Ind Eng Chem Res. 2018. PMID: 29749996 Free PMC article.

5

Molecular simulation investigation into the performance of Cu-BTC metal-organic frameworks for carbon dioxide-methane separations.

Gutiérrez-Sevillano JJ, Caro-Pérez A, Dubbeldam D, Calero S. Gutiérrez-Sevillano JJ, et al. Among authors: dubbeldam d. Phys Chem Chem Phys. 2011 Dec 7;13(45):20453-60. doi: 10.1039/c1cp21761e. Epub 2011 Oct 13. Phys Chem Chem Phys. 2011. PMID: 21997188

6

Simulation study on the adsorption properties of linear alkanes on closed nanotube bundles.

Cannon JJ, Vlugt TJ, Dubbeldam D, Maruyama S, Shiomi J. Cannon JJ, et al. Among authors: dubbeldam d. J Phys Chem B. 2012 Aug 16;116(32):9812-9. doi: 10.1021/jp3039225. Epub 2012 Aug 7. J Phys Chem B. 2012. PMID: 22764885

7

Entropic separations of mixtures of aromatics by selective face-to-face molecular stacking in one-dimensional channels of metal-organic frameworks and zeolites.

Torres-Knoop A, Balestra SR, Krishna R, Calero S, Dubbeldam D. Torres-Knoop A, et al. Among authors: dubbeldam d. Chemphyschem. 2015 Feb 23;16(3):532-5. doi: 10.1002/cphc.201402819. Epub 2014 Dec 11. Chemphyschem. 2015. PMID: 25504615

8

A Comparison of Advanced Monte Carlo Methods for Open Systems: CFCMC vs CBMC.

Torres-Knoop A, Balaji SP, Vlugt TJ, Dubbeldam D. Torres-Knoop A, et al. Among authors: dubbeldam d. J Chem Theory Comput. 2014 Mar 11;10(3):942-52. doi: 10.1021/ct4009766. Epub 2014 Feb 14. J Chem Theory Comput. 2014. PMID: 26580173

9

Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions.

Torres-Knoop A, Poursaeidesfahani A, Vlugt TJH, Dubbeldam D. Torres-Knoop A, et al. Among authors: dubbeldam d. J Chem Theory Comput. 2017 Jul 11;13(7):3326-3339. doi: 10.1021/acs.jctc.6b01193. Epub 2017 Jun 9. J Chem Theory Comput. 2017. PMID: 28521093 Free PMC article.

10

The Influence of UiO-66 Metal-Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers.

Sławek A, Jajko G, Ogorzały K, Dubbeldam D, Vlugt TJH, Makowski W. Sławek A, et al. Among authors: dubbeldam d. Chemistry. 2022 May 19;28(29):e202200030. doi: 10.1002/chem.202200030. Epub 2022 Apr 8. Chemistry. 2022. PMID: 35312101

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