Density functional theory for transition metals and transition metal chemistry
Cramer, Christopher J, Truhlar, Donald G
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
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Journal Article
Mechanically Activated, Catalyst-Free Polyhydroxyurethane Vitrimers
Fortman, David J, Brutman, Jacob P, Cramer, Christopher J, Hillmyer, Marc A, Dichtel, William R
Published in Journal of the American Chemical Society (11.11.2015)
Published in Journal of the American Chemical Society (11.11.2015)
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Journal Article
Quantum-Chemical Characterization of the Properties and Reactivities of Metal–Organic Frameworks
Odoh, Samuel O, Cramer, Christopher J, Truhlar, Donald G, Gagliardi, Laura
Published in Chemical reviews (24.06.2015)
Published in Chemical reviews (24.06.2015)
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Journal Article
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
Marenich, Aleksandr V, Cramer, Christopher J, Truhlar, Donald G
Published in The journal of physical chemistry. B (07.05.2009)
Published in The journal of physical chemistry. B (07.05.2009)
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Journal Article
Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases
Marenich, Aleksandr V, Jerome, Steven V, Cramer, Christopher J, Truhlar, Donald G
Published in Journal of chemical theory and computation (14.02.2012)
Published in Journal of chemical theory and computation (14.02.2012)
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Journal Article
Site-Selective Copper-Catalyzed Azidation of Benzylic C–H Bonds
Suh, Sung-Eun, Chen, Si-Jie, Mandal, Mukunda, Guzei, Ilia A, Cramer, Christopher J, Stahl, Shannon S
Published in Journal of the American Chemical Society (01.07.2020)
Published in Journal of the American Chemical Society (01.07.2020)
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Journal Article
A Hafnium-Based Metal–Organic Framework as an Efficient and Multifunctional Catalyst for Facile CO2 Fixation and Regioselective and Enantioretentive Epoxide Activation
Beyzavi, Hudson, Klet, Rachel C, Tussupbayev, Samat, Borycz, Joshua, Vermeulen, Nicolaas A, Cramer, Christopher J, Stoddart, J. Fraser, Hupp, Joseph T, Farha, Omar K
Published in Journal of the American Chemical Society (12.11.2014)
Published in Journal of the American Chemical Society (12.11.2014)
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Journal Article
Quantum Chemical Characterization of Structural Single Fe(II) Sites in MIL-Type Metal–Organic Frameworks for the Oxidation of Methane to Methanol and Ethane to Ethanol
Vitillo, Jenny G, Bhan, Aditya, Cramer, Christopher J, Lu, Connie C, Gagliardi, Laura
Published in ACS catalysis (05.04.2019)
Published in ACS catalysis (05.04.2019)
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Journal Article
Tuning the Properties of Zr6O8 Nodes in the Metal Organic Framework UiO-66 by Selection of Node-Bound Ligands and Linkers
Wei, Ruiping, Gaggioli, Carlo Alberto, Li, Guozhu, Islamoglu, Timur, Zhang, Zhuxiu, Yu, Ping, Farha, Omar K, Cramer, Christopher J, Gagliardi, Laura, Yang, Dong, Gates, Bruce C
Published in Chemistry of materials (12.03.2019)
Published in Chemistry of materials (12.03.2019)
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Journal Article
Metal–Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts: NU-1000- and UiO-66-Supported Iridium Complexes
Yang, Dong, Odoh, Samuel O, Wang, Timothy C, Farha, Omar K, Hupp, Joseph T, Cramer, Christopher J, Gagliardi, Laura, Gates, Bruce C
Published in Journal of the American Chemical Society (17.06.2015)
Published in Journal of the American Chemical Society (17.06.2015)
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Journal Article
An Exceptionally Stable Metal–Organic Framework Supported Molybdenum(VI) Oxide Catalyst for Cyclohexene Epoxidation
Noh, Hyunho, Cui, Yuexing, Peters, Aaron W, Pahls, Dale R, Ortuño, Manuel A, Vermeulen, Nicolaas A, Cramer, Christopher J, Gagliardi, Laura, Hupp, Joseph T, Farha, Omar K
Published in Journal of the American Chemical Society (09.11.2016)
Published in Journal of the American Chemical Society (09.11.2016)
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Journal Article
Destruction of chemical warfare agents using metal–organic frameworks
Mondloch, Joseph E., Katz, Michael J., Isley III, William C., Ghosh, Pritha, Liao, Peilin, Bury, Wojciech, Wagner, George W., Hall, Morgan G., DeCoste, Jared B., Peterson, Gregory W., Snurr, Randall Q., Cramer, Christopher J., Hupp, Joseph T., Farha, Omar K.
Published in Nature materials (01.05.2015)
Published in Nature materials (01.05.2015)
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Journal Article
Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-Oxide-Like Zr6 Nodes of UiO-66 and NU-1000
Yang, Dong, Bernales, Varinia, Islamoglu, Timur, Farha, Omar K, Hupp, Joseph T, Cramer, Christopher J, Gagliardi, Laura, Gates, Bruce C
Published in Journal of the American Chemical Society (23.11.2016)
Published in Journal of the American Chemical Society (23.11.2016)
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Journal Article
Aqueous Solvation Free Energies of Ions and Ion−Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton
Kelly, Casey P, Cramer, Christopher J, Truhlar, Donald G
Published in The journal of physical chemistry. B (17.08.2006)
Published in The journal of physical chemistry. B (17.08.2006)
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Journal Article
Presence versus Proximity: The Role of Pendant Amines in the Catalytic Hydrolysis of a Nerve Agent Simulant
Islamoglu, Timur, Ortuño, Manuel A., Proussaloglou, Emmanuel, Howarth, Ashlee J., Vermeulen, Nicolaas A., Atilgan, Ahmet, Asiri, Abdullah M., Cramer, Christopher J., Farha, Omar K.
Published in Angewandte Chemie (International ed.) (12.02.2018)
Published in Angewandte Chemie (International ed.) (12.02.2018)
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Journal Article
Comparison of Real-Time and Linear-Response Time-Dependent Density Functional Theories for Molecular Chromophores Ranging from Sparse to High Densities of States
Tussupbayev, Samat, Govind, Niranjan, Lopata, Kenneth, Cramer, Christopher J
Published in Journal of chemical theory and computation (10.03.2015)
Published in Journal of chemical theory and computation (10.03.2015)
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