Items where Author is "Dubbeldam, David"

Article

Torres-Knoop, Ariana ; Balestra, Salvador R. G. ; Krishna, Rajamani ; Calero, Sofía ; Dubbeldam, David (2015) Entropic separations of mixtures of aromatics by selective face-to-face molecular stacking in one-dimensional channels of metal-organic frameworks and zeolites ChemPhysChem, 16 (3). pp. 532-535. ISSN 1439-4235

Torres-Knoop, Ariana ; Heinen, Jurn ; Krishna, Rajamani ; Dubbeldam, David (2015) Entropic separation of styrene/ethylbenzene mixtures by exploitation of subtle differences in molecular configurations in ordered crystalline nanoporous adsorbents Langmuir, 31 (12). pp. 3771-3778. ISSN 0743-7463

Torres-Knoop, Ariana ; Krishna, Rajamani ; Dubbeldam, David (2014) Separating xylene isomers by commensurate stacking of p-Xylene within channels of MAF-X8 Angewandte Chemie International Edition, 53 (30). pp. 7774-7778. ISSN 1433-7851

Dubbeldam, David ; Krishna, Rajamani ; Calero, Sofía ; Yazaydın, Ahmet Ozgur (2012) Computer-assisted screening of ordered crystalline nanoporous adsorbents for separation of alkane isomers Angewandte Chemie International Edition, 51 (47). pp. 11867-11871. ISSN 1433-7851

Dubbeldam, David ; Oxford, Gloria A. E. ; Krishna, Rajamani ; Broadbelt, Linda J. ; Snurr, Randall Q. (2010) Distance and angular holonomic constraints in molecular simulations The Journal of Chemical Physics, 133 (3). pp. 034114_1-034114_15. ISSN 0021-9606

Garci'a-Sa'nchez, Almudena ; Ania, Conchi O. ; Parra, Jose B. ; Dubbeldam, David ; Vlugt, Thijs J. H. ; Krishna, Rajamani ; Calero, Sofia (2009) Transferable force field for carbon dioxide adsorption in zeolites The Journal of Physical Chemistry C, 113 (20). pp. 8814-8820. ISSN 0022-3654

García-Sánchez, Almudena ; García-Pérez, Elena ; Dubbeldam, David ; Krishna, Rajamani ; Calero, Sofía (2007) A simulation study of alkanes in linde type a Zeolites Adsorption Science and Technology, 25 . pp. 419-427. ISSN 0263-6174

Calero, Sofía ; Dubbeldam, David ; Krishna, Rajamani ; Smit, Berend ; Vlugt, Thijs J. H. ; Denayer, Joeri F. M. ; Martens, Johan A. ; Maesen, Theo L. M. (2004) Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites Journal of the American Chemical Society, 126 (36). pp. 11377-11386. ISSN 0002-7863