Proton Conductivity of SO3H-Functionalized Benzene-Periodic Mesoporous Organosilica

The Dissociated Amorphous Silica Surface: Model Development and Evaluation

(2010) Ali A. Hassanali et al.   Journal of Chemical Theory and Computation

The Self-Consistent Charge Density Functional Tight Binding Method Applied to Liquid Water and the Hydrated Excess Proton: Benchmark Simulations

(2010) C. Mark Maupin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Application of the SCC-DFTB Method to H+(H2O)6, H+(H2O)21, and H+(H2O)22

(2010) Tae Hoon Choi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Detailed Simulation and Characterization of Highly Proton Conducting Sulfonic Acid Functionalized Mesoporous Materials under Dry and Humidified Conditions

(2009) Roland Marschall et al.   Journal of Physical Chemistry C

Proton conductivity of ordered mesoporous materials containing aluminium

(2009) Monir Sharifi et al.   JOURNAL OF POWER SOURCES

Nanoparticles of Mesoporous SO3H-Functionalized Si-MCM-41 with Superior Proton Conductivity

(2009) Roland Marschall et al.   Small

Insight into Proton Conduction of Immobilised Imidazole Systems Via Simulations and Impedance Spectroscopy

(2008) W. L. Cavalcanti et al.   Fuel Cells

Modelling of Proton Diffusion in Immobilised Imidazole Systems for Application in Fuel Cells

(2008) P. Tölle et al.   Fuel Cells

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Sulfonic acid functionalized periodic mesostructured organosilica as heterogeneous catalyst

(2007) David Dubé et al.   MICROPOROUS AND MESOPOROUS MATERIALS