16.    S.J. Lee, R.A. Jensen, C.D. Malliakas, M.G. Kanatzidis, J.T. Hupp, S.T. Nguyen, "Effect of secondary substituent on the physical properties, crystal structures, and nanoparticle morphologies of (porphyrin)Sn(OH)2: diversity enabled via synthetic manipulations," J. Mater. Chem., in press.

15.    S.J. Lee, J.T. Hupp, S.T. Nguyen, "Growth of narrowly dispersed porphyrin nanowires and their hierarchical assembly into macroscopic columns," J. Am. Chem. Soc, in press.

14.    K.-T. Youm, S.T. Nguyen, J.T. Hupp, "Hollow porphyrin prisms: modular formation of permanent, torsionally rigid nanostructures via templated olefin metathesis," Chem. Commun., in press.

13.    S.J. Lee, C.D. Malliakas, M.G. Kanatzidis, J.T. Hupp, S.T. Nguyen, "Amphiphilic porphyrin nanocrystals: morphology tuning and hierarchical assembly," Adv. Mater., in press.

12.    X. Bao, L.J. Broadbelt, R.Q. Snurr, "A computational study of enantioselective adsorption in a homochiral metal-organic framework," Molec. Simulation, submitted.

11.    D. Dubbeldam, C.J. Galvin, K.S. Walton, D.E. Ellis, R.Q. Snurr, "Separation and molecular-level segregation of complex alkane mixtures using metal-organic frameworks," J. Am. Chem. Soc., in press.

10.    E. Garcia-Perez, J. Parra Soto, C. Ania, D. Dubbeldam, T. Vlugt, J.M. Castillo, P. Merkling, S. Calero, "Unraveling argon adsorption in MFI-type zeolites," J. Phys. Chem. C, in press.

9.    T.H.J. Vlugt, E. Garcia-Perez, D. Dubbeldam, S. Calero, "Computing the heat of adsorption using molecular simulations: The effect of strong Coulombic interactions," J. Chem. Theory Comput., in press.

8.    P. Dalach, H. Frost, R.Q. Snurr, D.E. Ellis, "Enhanced hydrogen uptake and the electronic structure of lithium-doped metal-organic frameworks," J. Phys. Chem. C, in press.

7.    M.C. Curet-Arana, G.A. Emberger, L.J. Broadbelt, R.Q. Snurr, "Quantum chemical determination of stable intermediates for alkene epoxidation with Mn-porphyrin catalysts," J. Molec. Catal. A 285 (2008) 120.

6.    S.M.P. Lucena, R.Q. Snurr, C.L. Cavalcante, Jr., "Monte Carlo and energy minimization studies of binary xylene adsorption in AEL and AFI networks," Adsorption 13 (2007) 477.

5.    S.M.P. Lucena, R.Q. Snurr, C.L. Cavalcante, Jr., "Studies on adsorption equilibrium of xylenes in AEL framework using biased GCMC and energy minimization," Micropor. Mesopor. Materials 111 (2008) 89.

4.    D. Dubbeldam, H. Frost, K.S. Walton, R.Q. Snurr, "Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1," Fluid Phase Equilibria 261 (2007) 152.

3.    D. Dubbeldam, K.S. Walton, D.E. Ellis, R.Q. Snurr, "Exceptional negative thermal expansion in metal-organic frameworks," Angew. Chem. Int. Ed. 46 (2007) 4496.

2.    D. Dubbeldam, R.Q. Snurr, "Recent developments in the molecular modeling of diffusion in nanoporous materials," Molec. Simulation 33 (2007) 305.

1.    S.-H. Cho, B.-Q. Ma, T.E. Albrecht-Schmitt, S.T. Nguyen, J.T. Hupp, "A metal-organic framework material that functions as an enantioselective catalyst for olefin epoxidation," Chem. Commun. (2006) 2563.

Publications acknowledging NSF grant CTS-0102612, "NIRT: Design of Nanoporous Molecular Square Catalysts using Multiscale Modeling" (Snurr, Broadbelt, Ellis, Hupp, Nguyen, Ottino)

16.    D. Majumder, L.J. Broadbelt, "Multiscale scheme for modeling catalytic flow reactors," AIChE J. 52 (2006) 4214.

15.    C.R. Graves, S.-S. Sun, S.T. Nguyen, J.T. Hupp, "A general procedure for the synthesis of chlorotricarbonyl rhenium (I) dipyridyl-based molecular squares," Inorganic Synthesis, submitted.

14.    D.E. Ellis, L. Miljacic. B. Deng, M. Jiang, L. Sarkisov, R.Q. Snurr, "Molecular squares, rectangles, and corners: Ground-state electronic structure and configurational properties," Chem. Mater. 18 (2006) 620-628.

13.    L. Sarkisov, K.F. Czaplewski, R.Q. Snurr, "The role of diffusion in applications of novel nanoporous materials and in novel uses of traditional materials," in Fluid Transport in Nanoporous Materials," edited by W.C. Conner, J. Fraissard, Springer, Dordrecht, 2006; pp. 69-91.

12.    M.L. Merlau, S.-S. Sun, S.T. Nguyen, J.T. Hupp, "Anthracene-induced turnover enhancement in the manganses porphyrin catalyzed epoxidation of olefins," Inorg. Chem. 44 (2005) 5523-5529.

11.    D. Majumder, L.J. Broadbelt, "Development and comparison of solution methods for modeling reaction and diffusion in 'molecular square' membranes," Ind. Eng. Chem. Res. 44 (2005) 5977-5986.

10.    L. Miljacic, L. Sarkisov, D.E. Ellis, R.Q. Snurr, "Structural analysis of porphyrin molecular squares using molecular mechanics and density functional methods," J. Chem. Phys. 121 (2004) 7228.

9.    R.Q. Snurr, J.T. Hupp, S.T. Nguyen, "Prospects for nanoporous metal-organic materials in advanced separations processes," AIChE J. 50 (2004) 1090.

8.    L. Sarkisov, T. Duren, R.Q. Snurr, "Molecular modeling of adsorption in novel nanoporous metal-organic materials," Mol. Phys. 102 (2004) 211.

7.    Shih-Sheng Sun, Charlotte L. Stern, SonBinh T. Nguyen, and Joseph T. Hupp, "Directed-Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Compontents. Examples of Metallation Controlled Structural Conversion," J. Am. Chem. Soc., 126 (2004) 6314.

6.    K.E. Splan. A.M. Massari, G.A. Morris, S.-S. Sun, E. Reina, S.T. Nguyen, J.T. Hupp, "Photophysical and energy-transfer properties of zinc salen complexes and supramolecular assemblies," Eur. J. Inorg. Chem. (2003), 2348.

5.    D.E. Ellis and O. Warschkow, "Toward Structure/Functional Relationships- Hybrid Classical and Quantum Methodologies," Advan. Quantum Chem. 42 (2003) 35.

4.    D.E. Ellis and O. Warschkow, "Evolution of Hybrid Classical/Quantum Methodologies: Application to Metal Oxide Surfaces and Interfaces," Coord. Chem. Rev., 238-239 (2003) 31.

3.    M.E. Williams, K.D. Benkstein, C. Abel, P.H. Dinolfo, J.T. Hupp, "Shape-selective transport through rectangle based molecular materials: thin-film scanning electrochemical microscopy studies," Proc. Natl. Acad. Sci. 99 (2002) 5171.

2.    J. Zhang, M.E. Williams, M.H. Keefe, G.A. Morris, S.T. Nguyen, J.T. Hupp, "Molecular Sieving and Thin-film Transport by Molecular Materials Featuring Large (>20 Angstrom Diameter) Component Cavities," Electrochemical and Solid State Letters 5 (2002) E25.

1.    G.A. Mines, B. Tzeng, K.J. Stevenson, J. Li, J.T. Hupp, "Microporous Supramolecular Coordination Compounds as Chemosensory Photonic Lattices," Angew. Chemie 41 (2002) 154.

Publications acknowledging DOE grant DEFG02-1ER15244, "Supramolecular-Assembly-Derived Membranes Featuring Nanoscale Porosity and Selective Chemical Separation Capabilities" (Hupp, Nguyen, Snurr)

26. "Chemical reduction of metal-organic framework materials as a method to enhance gas uptake and binding," K.L. Mulfort, J.T. Hupp, J. Am. Chem. Soc., 2007, 129, 9604-9605.

25. "Applicability of the BET method for determining surface areas of microporous metal-organic frameworks," K.S. Walton, R.Q. Snurr, J. Am. Chem. Soc., 2007, 129, 8552-8556.

24. "Synthesis of [bis(pyridine)salen]ZnII-based coordination polymers and their application in enantioselective separations," S.H. Cho, T. Gadzikwa, G.A. Emberger, R.Q. Snurr, S.T. Nguyen, J.T. Hupp, PMSE Preprints,, 2007, 97, 95-96.

23. "Solution-phase structural characterization of supramolecualr assemblies by high-angle molecular diffraction," J.L. O'Donnell, X. Zuo, A.J. Goshe, L. Sarkisov, R.Q. Snurr, J.T. Hupp, D.M. Tiede, J. Am. Chem. Soc., 2007, 129, 1578-1585.

22. "Using molecular simulation to characterise metal-organic frameworks and judge their performance as adsorbents," T. Duren, R.Q. Snurr, in 7th International Symposium on the Characterisation of Porous Solids COPS VII, edited by P.L. Llewellyn, F. Rodriquez, J. Rouqerol, N. Seaton, Stud. Surf. Sci. Catal., 2007, 160, 161-168.

21. "A metal-organic framework material that functions as an enantioselective catalyst for olefin epoxidation," S.-H. Cho, B.-Q. Ma, S.T. Nguyen, J.T. Hupp, T.E. Albrecht-Schmitt, Chem. Commun., 2006, 2563-2565.

20. "Liquid/liquid interface polymerized porphyrin membranes displaying size-selective molecular and ionic permeability," J.L. O'Donnell, N. Thaitrong, J.T. Hupp, Langmuir, 2006, 22, 1804-1809.

19.   "Effects of surface area, free volume, and heat of adsorption on hydrogen uptake in metal-organic frameworks," H. Frost, T. Duren, R.Q. Snurr, J. Phys. Chem. B, 2006, 110, 9565-9570.

18. "Porphyrin-containing molecular squares: design and applications," S.J. Lee, J.T. Hupp, Coord. Chem. Rev., 2006, 250, 1710-1723.

17. "Rhenium-linked multiporphyrin assemblies: synthesis and properties," J.T. Hupp, Structure and Bonding,, 2006, 121, 145-165.

16. "Comparative x-ray standing wave analysis of metal-phosphonate multilayer films of dodecane and porphyrin molecular square," J. Libera, R. Gurney, S.T. Nguyen, C. Schwartz, H. Jin, T.-L. Lee, J.T. Hupp, M. Bedzyk, J. Phys. Chem. B,, 2005, 109, 1441-1450.

15. "Microporous paddle-wheel frameworks based on mixed ligand coordination of zinc ions," B. Ma, K. Mulfort, J.T. Hupp, Inorg. Chem., 2005, 44, 4912-4914.

14.   "Assessment of isoreticular metal-organic frameworks for adsorption separations: A molecular simulation study of methane/n-butane mixtures," T. Duren, R.Q. Snurr, J. Phys. Chem. B, 2004, 108, 15703-15708.

13.   "X-ray Nanoscale Profiling of Layer-by-Layer Assembled Metal/Organo-Phosphonate Films," J. Libera, R. Gurney, S.T. Nguyen, J.T. Hupp, C. Liu, R. Conley, M. Bedzyk, Langmuir, 2004, 20, 8022-8029.

12.   "Molecular Modeling of Advanced Materials for Adsorption and Membrane Separations," T. Duren, L. Sarkisov, R.Q. Snurr, in Proceedings of the 3rd International Conference on Computational Modeling and Simulation of Materials, Part A, edited by P. Vincenzini, A. Lami, F. Zerbetto, 2005; pp. 519-530.

11.   "Walljet Electrochemistry: Quantifying Molecular Transport through Metallopolymeric and zirconium phosphonate-assembled porphyrin square thin films," A.M. Massari, R.W. Gurney, C.P. Schwartz, S.T. Nguyen, J.T. Hupp, Langmuir, 2004, 20, 4422-4429.

10.   "Prospects for Nanoporous Metal-Organic Materials in Advanced Separations Processes," R.Q. Snurr, J.T. Hupp, S.T. Nguyen, AIChE J., 2004, 50, 1090-1095.

9.    "The role of diffusion in applications of novel nanoporous materials and in novel uses of traditional materials," L. Sarkisov, K.F. Czaplewski, R.Q. Snurr, in Fluid Transport in Nanoporous Materials," edited by W.C. Conner, J. Fraissard, Springer, Dordrecht, 2006; pp. 69-91.

8.    "Directed-Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metallation-Controlled Structural Conversion", S. -S. Sun, C. L. Stern, S. T. Nguyen, and J. T. Hupp, J. Am. Chem. Soc., 2004, 126, 6314.

7.    "Design of New Materials for Methane Storage", T. Duren, L. Sarkisov, O.M. Yaghi, and R.Q. Snurr, Langmuir, 2004, 20, 2683-2689.

6.    "Permeable, Microporous Polymeric Membrane Materials Constructed from Discrete Molecular Squares", M. H. Keefe, J. L. O'Donnell, R. C. Bailey, S. T. Nguyen, J. T. Hupp, Advanced Materials, 2003, 15, 1936-1939.

5.    "Molecular Squares, Boxes and Cubes", P.H. Dinolfo, S-S, Sun, and J.T. Hupp, Encyclopedia of Supramolecular Chemistry, in press.

4.    "Ultrathin Micropatterned Porphyrin Films Assembled via Zirconium Phosphonate Chemistry", A. M. Massari, R. W. Gurney, C-H. K. Huang, M. Wightman, S. T. Nguyen, J .T. Hupp, Polyhedron, 2003, 22, 3065-3072. (invited article).

3.    "A Perspective on Four New Porphyrin-Based Functional Materials and Devices", C. M. Drain, J. T. Hupp, K. S. Suslick, M. R. Wasielewski, and X. Chen, J. Porph. & Phthalocyanines, 2002, 6, 243-258.

2.    "Vapor Permeation Studies of Membranes Made from Molecular Squares", K. F. Czaplewski, J. Li, J. T. Hupp, and R.Q.Snurr, J. of Membrane Sci., 2003, 221, 103-111.

1.    "Interfacial Polymerization of Molecular Squares: Thin Microporous Membranes Featuring Size Selective Transport", J. L. O'Donnell, M. H. Keefe, and J. T. Hupp, Mat. Res. Soc. Symp. Proc., 2002, 734, B1.1.1 – B1.1.12.

Publications acknowledging NSF grant CHE-9811334, "Functionalized Nanoporous Membranes" (Hupp, Nguyen, Snurr)

19.    K. F. Czaplewski, J. T. Hupp, R. Q. Snurr, "Molecular squares as molecular sieves: size-selective transport through porous-membrane-supported thin-film materials," Adv. Mater. 13, 1895-1897 (2001).

18.    S. Belanger and J. T. Hupp, "Porphyrin-Based Thin-Film Molecular Materials Featuring Highly Adjustable Nanoscale Porosity and Permeability Characteristics", Angewandte Chemie, Int. Ed. Engl., p. 2222, vol. 38, (1999).

17.    M. H. Keefe, R. V. Slone, J. T. Hupp, K. F. Czaplewski, R. Q. Snurr, and C. L. Stern, "Mesoporous Thin Films of 'Molecular Squares' as Sensors for Volatile Organic Compounds", Langmuir, p. 3964, vol. 16, (2000).

16.    K. D. Benkstein, J. T. Hupp, and C. L. Stern, "Luminescent Mesoporous Molecular Materials Based on Neutral Tetrametallic Rectangles", Angewandte Chemie, Int. Ed. Engl., p. 2891, vol. 39, (2000).

15.    M. E. Williams, K. J. Stevenson, A. M. Massari, J. T. Hupp, "Imaging Size-Selective Permeation Through Micropatterned Thin Films Using Scanning Electrochemical Microscopy", Analytical Chemistry, p. 3122, vol. 72, (2000).

14.    J. Zhang, M. E. Williams, M. H. Keefe, G. A. Moris, S. T. Nguyen, J. T. Hupp, "Molecular Sieving and Thin-film Transport by Moleculer Materials Featuring Large (>20 Angstrom Diameter) Component Cavities", Electrochemical and Solid State Letters, 5 (2002) E25.

13.    J. T.Hupp, "Emerging Nanoscience and Functional Artificial Nanoarchitectures", Interface, p. 21, vol. 10(3), (2001).

12.    J. T. Hupp and S. T. Nguyen, "Functional Nanostructured Molecular Materials", Interface, p. 28, vol. 10(3), (2001).

11.    M. E. Williams and J. T. Hupp, "Electrochemistry in Nanostructured Inorganic Molecular Materials", Proceedings of the Materials Research Society, 2001, 676, Y1.5.1 - Y1.5.10.

10.    W. H. Otto, M. H. Keefe, K. E. Splan, J. T. Hupp, and C.K. Larive, "Analysis of Molecular Square Size and Purity via Pulsed Field Gradient NMR Spectroscopy", Inorg. Chem., 2002, 41, 6172-6174.

9.    P. H. Dinolfo and J. T. Hupp, "Supramolecular Coordination Chemistry and Functional Microporous Molecular Materials", Chem. Mater., p. 3113, vol. 13, (2001).

8.    M. E. Williams and J. T. Hupp,, "Scanning Electrochemical Microscopy Assessment of Rates of Molecular Scanning Electrochemical Microscopy Assessment of Rates of Molecular Transport Through Thin Films of Mesoporous Films of Porphyrinic 'Molecular Squares'", J.Phys.Chem.B, p. 8944, vol. 105, (2001).

7.    G. A. Morris, S. T. Nguyen and J. T. Hupp,, "Enhanced Activity of Enantioselective (Salen)Mn(III) Epoxidation Catalysts Through Supramolecular Complexation", J.Mol.Cat.A, p. 15, vol. 174, (2001).

6.    M. L. Merlau, M. del Pilar Mejia, S. T. Nguyen, and J. T. Hupp, "Artificial Enzymes Formed Via Directed Assembly of Molecular Square-Encapsulated Epoxidation Catalysts", Angew. Chem., 2001, 40, 4239-4242. Selected by Angewandte Chemie as a "newsworty article" for general press release.

5.    M. E. Williams and J. T. Hupp, "Microporous Inorganic Molecular Materials", In The Encyclopedia of Electrochemistry, Vol. 10, A. J. Bard; M. Stratmann, Eds.; Wiley-VCH Publishers: Germany, 2002, accepted.

4.    G. A. Morris and S. T. Nguyen, "A General Route to Pyridine-Modified Salicylaldehydes via Suzuki Coupling", Tetrahedron Lett, p. 2093, vol. 42, (2001).

3.    G. A. Morris, H. Zhou, and S. T. Nguyen, "A General High-Yield Route to Bis(Salicylaldimine) Zinc(II) Complexes: Applications to the Synthesis of Pyridine-modified Salen-type Zinc(II) Complexes", Inorg.Chem., p. 3222, vol. 40, (2001).

2.    C. C. Borg-Breen, M. L. Merlau, and S. T. Nguyen, "Homogeneous Catalytic Olefin Epoxidation", Encyclopedia of Catalysis, p. , vol. , (2001). accepted

1.    S. T. Nguyen, D. L. Gin, J. T. Hupp, and X. Zhang, "Supramolecular Chemistry-Functional Structures on the Mesoscale", Proc. Nat. Acad. Sci., 2001, 98(28), 11849-11850.

Publications related to molecular squares acknowledging NSF/DOE sponsored Institute for Environmental Catalysis at Northwestern University, Peter Stair, Director (Broadbelt, Ellis, Hupp, Nguyen, Snurr)

2.    L. A. Clark, D. E. Ellis, R. Q. Snurr, "A Fukui function overlap method for predicting reactivity in sterically complex systems," J. Chem. Phys. 114, 2580-2591 (2001).

1.    L. J. Broadbelt, R. Q. Snurr, "Applications of molecular modeling in heterogeneous catalysis research," Appl. Catal. A 200, 23-46 (2000). (invited)