The properties of methylene- and amine-substituted zeolites from first principlesASTALA, Roope; AUERBACH, Scott M.Journal of the American Chemical Society. 2004, Vol 126, Num 6, pp 1843-1848, issn 0002-7863, 6 p.Article

Microwave-driven zeolite-guest systems show athermal effects from nonequilibrium molecular dynamicsBLANCO, Cristian; AUERBACH, Scott M.Journal of the American Chemical Society. 2002, Vol 124, Num 22, pp 6250-6251, issn 0002-7863Article

Simulating the Formation of Surfactant-Templated Mesoporous Silica Materials: A Model with Both Surfactant Self-Assembly and Silica PolymerizationLIN JIN; AUERBACH, Scott M; MONSON, Peter A et al.Langmuir. 2013, Vol 29, Num 2, pp 766-780, issn 0743-7463, 15 p.Article

Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesisJORGE, M; AUERBACH, Scott M; MONSON, P. A et al.Journal of the American Chemical Society. 2005, Vol 127, Num 41, pp 14388-14400, issn 0002-7863, 13 p.Article

Normal mode approach for predicting the mechanical properties of solids from first principles: Application to compressibility and thermal expansion of zeolitesASTALA, R; AUERBACH, Scott M; MONSON, P. A et al.Physical review B. Condensed matter and materials physics. 2005, Vol 71, Num 1, pp 014112.1-014112.15, issn 1098-0121Article

Simulating Adsorptive Expansion of Zeolites: Application to Biomass-Derived Solutions in Contact with SilicaliteSANTANDER, Julian E; TSAPATSIS, Michael; AUERBACH, Scott M et al.Langmuir. 2013, Vol 29, Num 15, pp 4866-4876, issn 0743-7463, 11 p.Article

New insights into zeolite formation from molecular modelingAUERBACH, Scott M; FORD, Matthew H; MONSON, P. A et al.Current opinion in colloid & interface science. 2005, Vol 10, Num 5-6, pp 220-225, issn 1359-0294, 6 p.Article

Liquid phase aldol condensation reactions with MgO―ZrO₂ and shape-selective nitrogen-substituted NaYWENQIN SHEN; TOMPSETT, Geoffrey A; HAMMOND, Karl D et al.Applied catalysis. A, General (Print). 2011, Vol 392, Num 1-2, pp 57-68, issn 0926-860X, 12 p.Article

DFT study of nitrided zeolites: Mechanism of nitrogen substitution in HY and silicaliteAGARWAL, Vishal; HUBER, George W; CURTIS CONNER, W et al.Journal of catalysis (Print). 2010, Vol 269, Num 1, pp 53-63, issn 0021-9517, 11 p.Article

Physical adsorption analysis of intact supported MFI zeolite membranesHAMMOND, Karl D; TOMPSETT, Geoffrey A; AUERBACH, Scott M et al.Langmuir. 2007, Vol 23, Num 16, pp 8371-8384, issn 0743-7463, 14 p.Article

Investigation into the shape selectivity of zeolite catalysts for biomass conversionJAE, Jungho; TOMPSETT, Geoffrey A; FOSTER, Andrew J et al.Journal of catalysis (Print). 2011, Vol 279, Num 2, pp 257-268, issn 0021-9517, 12 p.Article

Kinetic stability of nitrogen-substituted sites in HY and silicalite from first principlesAGARWAL, Vishal; HUBER, George W; CONNER, W. Curtis et al.Journal of catalysis (Print). 2010, Vol 270, Num 2, pp 249-255, issn 0021-9517, 7 p.Article

Probing cooperative jump-diffusion in zeolites : Neutron spin-echo measurements and molecular dynamics simulations of benzene in NaXJOBIC, Hervé; RAMANAN, Harikrishnan; AUERBACH, Scott M et al.Microporous and mesoporous materials. 2006, Vol 90, Num 1-3, pp 307-313, issn 1387-1811, 7 p.Article