Molecular Dynamics Simulation of the Cation Motion upon Adsorption of CO2 in Faujasite Zeolite Systems
Plant, D. F, Maurin, G, Jobic, H, Llewellyn, P. L
Published in The journal of physical chemistry. B (27.07.2006)
Published in The journal of physical chemistry. B (27.07.2006)
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Journal Article
Cation Migration upon Adsorption of Methanol in NaY and NaX Faujasite Systems: A Molecular Dynamics Approach
Maurin, G, Plant, D. F, Henn, F, Bell, Robert G
Published in The journal of physical chemistry. B (21.09.2006)
Published in The journal of physical chemistry. B (21.09.2006)
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Journal Article
Computer modelling of defect structure and rare earth doping in LiCaAlF6 and LiSrAlF6
Amaral, J B, Plant, D F, Valerio, M E G, Jackson, R A
Published in Journal of physics. Condensed matter (07.05.2003)
Published in Journal of physics. Condensed matter (07.05.2003)
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Journal Article
Investigation of CO2 adsorption in faujasite systems : Grand Canonical Monte Carlo and molecular dynamics simulations based on a new derived Na+-CO2 force field
PLANT, D. F, MAURIN, G, DEROCHE, I, LLEWELLYN, P. L
Published in Microporous and mesoporous materials (01.02.2007)
Published in Microporous and mesoporous materials (01.02.2007)
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Conference Proceeding
Journal Article
Computer modelling of defects and dopants in mixed metal fluorides
Jackson, R. A., Plant, D. F., Valerio, M. E. G., Amaral, J. B.
Published in Radiation effects and defects in solids (01.01.2002)
Published in Radiation effects and defects in solids (01.01.2002)
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Journal Article
Conference Proceeding
CO2 adsorption in alkali cation exchanged Y faujasites: A quantum chemical study compared to experiments
Plant, D.F., Maurin, G., Deroche, I., Gaberova, L., Llewellyn, P.L.
Published in Chemical physics letters (04.08.2006)
Published in Chemical physics letters (04.08.2006)
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Journal Article
Molecular Dynamics Simulation of the Cation Motion upon Adsorption of CO 2 in Faujasite Zeolite Systems
Plant, D. F., Maurin, G., Jobic, H., Llewellyn, P. L.
Published in The journal of physical chemistry. B (01.07.2006)
Published in The journal of physical chemistry. B (01.07.2006)
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Journal Article
Combined Grand Canonical Monte Carlo and Molecular Dynamics approach based on a new Na+/CO2 forcefield : Investigation of CO2 adsorption in Faujasite systems
Plant, D. F., Maurin, Guillaume, Deroche, Irena, P.L. Llewellyn, P.L.
Published in Microporous and mesoporous materials (2007)
Published in Microporous and mesoporous materials (2007)
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Journal Article
Computer modelling of defect structure and rare earth doping in LiCaAlF 6 and LiSrAlF 6
Amaral, J B, Plant, D F, Valerio, M E G, Jackson, R A
Published in Journal of physics. Condensed matter (07.05.2003)
Published in Journal of physics. Condensed matter (07.05.2003)
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Journal Article
CO2 diffusivity in LiY and NaY Faujasite systems : Molecular Dynamics simulations and Quasi-Elastic Neutron Scattering experiments, D. Plant, H. Jobic, P.L. Llewellyn & G. Maurin, Adsorption, 13, 209, 2007
Plant, D. F., Jobic, H., Llewellyn, P. L., Maurin, Guillaume
Published in Adsorption - Journal of the International Adsorption Society (2007)
Published in Adsorption - Journal of the International Adsorption Society (2007)
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Conference Proceeding
Adsorption of Methanol on Zeolites X and Y. An Atomistic and Quantum Chemical Study
Plant, David F., Simperler, Alexandra, Bell, Robert G.
Published in The journal of physical chemistry. B (30.03.2006)
Published in The journal of physical chemistry. B (30.03.2006)
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Journal Article