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Catalysis

Working Paper

Structural Single Fe(II) Sites in MIL-Type Metal Or-Ganic Frameworks for Oxidation of Methane to Methanol and Ethane to Ethanol

Jenny G. Vitillo, Aditya Bhan, Christopher J. Cramer, Connie C. Lu, Laura Gagliardi

Version 1 posted 13 December 2018

1,176

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Organic Chemistry

Working Paper

Quantum Chemical Characterization of Factors Affecting the Neutral and Radical-Cation Newman-Kwart Reactions

Sina Chiniforoush, Christopher J. Cramer

Version 1 posted 17 December 2018

753

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1

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Theoretical and Computational Chemistry

Working Paper

Localized Active Space Pair-Density Functional Theory

Riddhish Pandharkar, Matthew R. Hermes, Christopher J. Cramer, Donald G. Truhlar, Laura Gagliardi

Version 1 posted 20 January 2021

386

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Theoretical and Computational Chemistry

Working Paper

Spin State Ordering in Metal-Based Compounds Using the Localized Active Space Self-Consistent Field Method

Riddhish Pandharkar, Matthew R. Hermes, Christopher J. Cramer, Laura Gagliardi

Version 1 posted 22 July 2019

553

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Theoretical and Computational Chemistry

Working Paper

Localized Active Space State Interaction: A Multireference Method For Chemical Insight

Riddhish Pandharkar, Matthew R. Hermes, Christopher J. Cramer, Laura Gagliardi

Version 1 posted 23 May 2022

483

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1

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Inorganic Chemistry

Working Paper

Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

MohammadReza MomeniTaheri, Christopher J. Cramer

Version 1 posted 22 February 2019

863

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Polymer Science

Working Paper

Radical ring-opening polymerization of sustainably-derived thionoisochromanone

Emily Prebihalo, Anna Luke, Yernaidu Reddi, Christopher LaSalle, Vijay Shah, Christopher Cramer, Theresa Reineke

Version 1 posted 22 August 2022

425

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2

Citations

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7 results in Christopher Cramer in Authors: Christopher Cramer

Structural Single Fe(II) Sites in MIL-Type Metal Or-Ganic Frameworks for Oxidation of Methane to Methanol and Ethane to Ethanol

Quantum Chemical Characterization of Factors Affecting the Neutral and Radical-Cation Newman-Kwart Reactions

Localized Active Space Pair-Density Functional Theory

Spin State Ordering in Metal-Based Compounds Using the Localized Active Space Self-Consistent Field Method

Localized Active Space State Interaction: A Multireference Method For Chemical Insight

Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

Radical ring-opening polymerization of sustainably-derived thionoisochromanone

7 results in Authors: Christopher Cramer