Computationally Guided Discovery of a Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization
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Rebecca K. Carlson | J. Hupp | C. Cramer | O. Farha | A. W. Peters | L. Gagliardi | Zhanyong Li | Neil M. Schweitzer | A. B. League | Varinia Bernales | Aaron B. League
[1] Seth M. Cohen,et al. Toward "metalloMOFzymes": Metal-Organic Frameworks with Single-Site Metal Catalysts for Small-Molecule Transformations. , 2016, Inorganic chemistry.
[2] J. Hupp,et al. Synthetic Access to Atomically Dispersed Metals in Metal-Organic Frameworks via a Combined Atomic-Layer-Deposition-in-MOF and Metal-Exchange Approach , 2016 .
[3] Rolf Mülhaupt,et al. From Multisite Polymerization Catalysis to Sustainable Materials and All-Polyolefin Composites. , 2016, Chemical reviews.
[4] J. Hupp,et al. Chemical, thermal and mechanical stabilities of metal–organic frameworks , 2016 .
[5] K. Schmidt-Rohr,et al. Improved Catalytic Activity and Stability of a Palladium Pincer Complex by Incorporation into a Metal-Organic Framework. , 2016, Journal of the American Chemical Society.
[6] Omar K Farha,et al. Sintering-Resistant Single-Site Nickel Catalyst Supported by Metal-Organic Framework. , 2016, Journal of the American Chemical Society.
[7] M. Dincǎ,et al. Selective Dimerization of Ethylene to 1-Butene with a Porous Catalyst , 2016, ACS central science.
[8] J. Hupp,et al. Tuning Zr6 Metal–Organic Framework (MOF) Nodes as Catalyst Supports: Site Densities and Electron-Donor Properties Influence Molecular Iridium Complexes as Ethylene Conversion Catalysts , 2016 .
[9] J. Hupp,et al. Metal-Organic Framework Thin Films as Platforms for Atomic Layer Deposition of Cobalt Ions To Enable Electrocatalytic Water Oxidation. , 2015, ACS applied materials & interfaces.
[10] J. Hupp,et al. Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework. , 2015, Journal of the American Chemical Society.
[11] Qiang Zhang,et al. Cooperative Cluster Metalation and Ligand Migration in Zirconium Metal-Organic Frameworks. , 2015, Angewandte Chemie.
[12] Nicolaas A. Vermeulen,et al. A Hafnium-Based Metal-Organic Framework as a Nature-Inspired Tandem Reaction Catalyst. , 2015, Journal of the American Chemical Society.
[13] S. Nguyen,et al. Gas-Phase Dimerization of Ethylene under Mild Conditions Catalyzed by MOF Materials Containing (bpy)NiII Complexes , 2015 .
[14] Omar K Farha,et al. Atomically Precise Growth of Catalytically Active Cobalt Sulfide on Flat Surfaces and within a Metal-Organic Framework via Atomic Layer Deposition. , 2015, ACS nano.
[15] Alex B. F. Martinson,et al. Targeted Single-Site MOF Node Modification: Trivalent Metal Loading via Atomic Layer Deposition , 2015 .
[16] J. Hupp,et al. Metal-organic framework nodes as nearly ideal supports for molecular catalysts: NU-1000- and UiO-66-supported iridium complexes. , 2015, Journal of the American Chemical Society.
[17] K. Reuter,et al. Postsynthetic Metal and Ligand Exchange in MFU-4l: A Screening Approach toward Functional Metal-Organic Frameworks Comprising Single-Site Active Centers. , 2015, Chemistry.
[18] C. Cramer,et al. Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks. , 2015, Chemical reviews.
[19] Seth M. Cohen,et al. A bifunctional, site-isolated metal-organic framework-based tandem catalyst. , 2015, Inorganic chemistry.
[20] Seth M. Cohen,et al. Metalation of a thiocatechol-functionalized Zr(IV)-based metal-organic framework for selective C-H functionalization. , 2015, Journal of the American Chemical Society.
[21] Bo-geng Li,et al. Postsynthetic modification of mixed-linker metal–organic frameworks for ethylene oligomerization , 2014 .
[22] Joshua Borycz,et al. Defining the Proton Topology of the Zr6-Based Metal-Organic Framework NU-1000. , 2014, The journal of physical chemistry letters.
[23] F. Fajula,et al. Nickel-based solid catalysts for ethylene oligomerization – a review , 2014 .
[24] A. Comas‐Vives,et al. Proton transfers are key elementary steps in ethylene polymerization on isolated chromium(III) silicates , 2014, Proceedings of the National Academy of Sciences.
[25] Craig M. Brown,et al. Oxidation of ethane to ethanol by N2O in a metal-organic framework with coordinatively unsaturated iron(II) sites. , 2014, Nature chemistry.
[26] Ying Shirley Meng,et al. Reusable oxidation catalysis using metal-monocatecholato species in a robust metal-organic framework. , 2014, Journal of the American Chemical Society.
[27] A. Bell,et al. Selective Propene Oligomerization with Nickel(II)-Based Metal–Organic Frameworks , 2014 .
[28] Seth M. Cohen,et al. Enhanced Photochemical Hydrogen Production by a Molecular Diiron Catalyst Incorporated into a Metal–Organic Framework , 2013, Journal of the American Chemical Society.
[29] Cheng Wang,et al. Metal-organic frameworks as a tunable platform for designing functional molecular materials. , 2013, Journal of the American Chemical Society.
[30] David Fairen-Jimenez,et al. Vapor-phase metalation by atomic layer deposition in a metal-organic framework. , 2013, Journal of the American Chemical Society.
[31] Y. Schuurman,et al. MOF-supported selective ethylene dimerization single-site catalysts through one-pot postsynthetic modification. , 2013, Journal of the American Chemical Society.
[32] Seth M. Cohen,et al. Site-selective cyclometalation of a metal–organic framework , 2013 .
[33] Hong-Cai Zhou,et al. Metal-organic frameworks for separations. , 2012, Chemical reviews.
[34] Kimoon Kim,et al. Homochiral metal-organic frameworks for asymmetric heterogeneous catalysis. , 2012, Chemical reviews.
[35] Kenji Sumida,et al. Carbon dioxide capture in metal-organic frameworks. , 2012, Chemical reviews.
[36] Seth M Cohen,et al. Postsynthetic methods for the functionalization of metal-organic frameworks. , 2012, Chemical reviews.
[37] J. Long,et al. Introduction to metal-organic frameworks. , 2012, Chemical reviews.
[38] FRANCESCO AQUILANTE,et al. MOLCAS 7: The Next Generation , 2010, J. Comput. Chem..
[39] Seth M. Cohen,et al. Postsynthetic modification of metal-organic frameworks. , 2009, Chemical Society reviews.
[40] C. Serre,et al. High-throughput assisted rationalization of the formation of metal organic frameworks in the Iron(III) aminoterephthalate solvothermal system. , 2008, Inorganic chemistry.
[41] A. Sivaramakrishna,et al. Thermal studies on metallacycloalkanes , 2007 .
[42] R. Lindh,et al. Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals. , 2007, The Journal of chemical physics.
[43] D. Truhlar,et al. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions. , 2006, The Journal of chemical physics.
[44] F. Weigend. Accurate Coulomb-fitting basis sets for H to Rn. , 2006, Physical chemistry chemical physics : PCCP.
[45] F. Weigend,et al. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. , 2005, Physical chemistry chemical physics : PCCP.
[46] Roland Lindh,et al. New relativistic ANO basis sets for transition metal atoms. , 2005, The journal of physical chemistry. A.
[47] Roland Lindh,et al. Main group atoms and dimers studied with a new relativistic ANO basis set , 2004 .
[48] T. Agapie,et al. Mechanistic studies of the ethylene trimerization reaction with chromium-diphosphine catalysts: experimental evidence for a mechanism involving metallacyclic intermediates. , 2004, Journal of the American Chemical Society.
[49] Michael O'Keeffe,et al. Hydrogen Storage in Microporous Metal-Organic Frameworks , 2003, Science.
[50] T. Ziegler,et al. Theoretical Study of Ethylene Oligomerization by an Organometallic Nickel Catalyst. , 1996, Inorganic chemistry.
[51] Hess,et al. Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators. , 1986, Physical review. A, General physics.
[52] B. Roos,et al. A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach , 1980 .
[53] Marvin Douglas,et al. Quantum electrodynamical corrections to the fine structure of helium , 1971 .
[54] P. Cossee,et al. Ziegler-Natta catalysis III. Stereospecific polymerization of propene with the catalyst system TiCl3AlEt3 , 1964 .