Thomas R Cundari

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 32

Top Topics

Reduced Graphene Oxide

Density Functional Theory

Transition Metal

Top Venues

Journal of the American Chemical Society

Inorganic chemistry

The journal of physical chemistry. A

ACS applied materials & interfaces

This page only lists publications with an associated author ORCID identifier.

Publications

Ignacio Migliaro, Thomas R Cundari
Integrated Study on Methane Activation: Exploring Main Group Frustrated Lewis Pairs through Density Functional Theory, Machine Learning, and Machine-Learned Force Fields. Journal of chemical theory and computation 20 (14) (2024)
Meenakshi Sharma, Reece M Fritz, Himanshu Bhatia, Joseph O Adebanjo, Zhou Lu, Mohammad A Omary, Thomas R Cundari, Amitava Choudhury, Pericles Stavropoulos
C-H amination chemistry mediated by trinuclear Cu(I) sites supported by a ligand scaffold featuring an arene platform and tetramethylguanidinyl residues. Dalton transactions (Cambridge, England : 2003) (2024)
Samar Alhowity, Kabirat Balogun, Ashwin Ganesan, Colton J Lund, Olatomide Omolere, Qasim Adesope, Precious Chukwunenye, Stella C Amagbor, Fatima Anwar, M K Altafi, Francis D'Souza, Thomas R Cundari, Jeffry A Kelber
Niobium Carbide and Tantalum Carbide as Nitrogen Reduction Electrocatalysts: Catalytic Activity, Carbophilicity, and the Importance of Intermediate Oxidation States. ACS applied materials & interfaces (2024)
Ignacio Migliaro, Thomas R Cundari
Integrated Study on Methane Activation: Exploring Main Group Frustrated Lewis Pairs through Density Functional Theory, Machine Learning, and Machine-Learned Force Fields. Journal of chemical theory and computation (2024)
Samar Alhowity, Kabirat Balogun, Ashwin Ganesan, Colton J Lund, Olatomide Omolere, Qasim Adesope, Precious Chukwunenye, Stella C Amagbor, Fatima Anwar, M K Altafi, Francis D'Souza, Thomas R Cundari, Jeffry A Kelber
Niobium Carbide and Tantalum Carbide as Nitrogen Reduction Electrocatalysts: Catalytic Activity, Carbophilicity, and the Importance of Intermediate Oxidation States. ACS applied materials & interfaces 16 (2) (2024)
Ann K Kayser, Peter T Wolczanski, Thomas R Cundari, Samantha N MacMillan, Melissa M Bollmeyer
Benzimidazole-diamide (bida) Pincer Chromium Complexes: Structures and Reactivity. Inorganic chemistry (2023)
Chuan-Pin Chen, Waad S Alharbi, Thomas R Cundari, Thomas W Hamann, Milton R Smith
Deciphering the Mechanism of Base-Triggered Conversion of Ammonia to Molecular Nitrogen and Methylamine to Cyanide. Journal of the American Chemical Society (2023)
Kurtis M Carsch, Sasha C North, Ida M DiMucci, Andrei Iliescu, Petra Vojáčková, Thomas Khazanov, Shao Liang Zheng, Thomas R Cundari, Kyle M Lancaster, Theodore A Betley
Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex. Chemical science 14 (39) (2023)
Pokhraj Ghosh, Molly Stauffer, Valiallah Hosseininasab, Subrata Kundu, Jeffery A Bertke, Thomas R Cundari, Timothy H Warren
NO Coupling at Copper to cis -Hyponitrite: N 2 O Formation via Protonation and H-Atom Transfer. Journal of the American Chemical Society 144 (33) (2022)
Jose Cortes Vazquez, Waad S Alharbi, Jacqkis Davis, Alexia Moore, Vladimir N Nesterov, Thomas R Cundari, Hong Wang, Weiwei Luo
Three Component Cascade Reaction of Cyclohexanones, Aryl Amines, and Benzoylmethylene Malonates: Cooperative Enamine-Brønsted Acid Approach to Tetrahydroindoles. ACS omega 7 (49) (2022)
Harrison M Bergman, D Dawson Beattie, Rex C Handford, Elliot Rossomme, Benjamin A Suslick, Martin Head-Gordon, Thomas R Cundari, Yi Liu, T Don Tilley
Copper(III) Metallacyclopentadienes via Zirconocene Transfer and Reductive Elimination to an Isolable Phenanthrocyclobutadiene. Journal of the American Chemical Society 144 (22) (2022)
Hannah E Zeitler, Alexander S Phearman, Michael R Gau, Patrick J Carroll, Thomas R Cundari, Karen I Goldberg
Metal-Ligand-Anion Cooperation in C-H Bond Formation at Platinum(II). Journal of the American Chemical Society 144 (32) (2022)
Jose Cortes Vazquez, Waad S Alharbi, Jacqkis Davis, Alexia Moore, Vladimir N Nesterov, Thomas R Cundari, Hong Wang, Weiwei Luo
Three Component Cascade Reaction of Cyclohexanones, Aryl Amines, and Benzoylmethylene Malonates: Cooperative Enamine-Brønsted Acid Approach to Tetrahydroindoles. ACS omega 7 (49) (2022)
Waad S Alharbi, Thomas R Cundari
Mapping the Basicity of Selected 3d and 4d Metal Nitrides: A DFT Study. Inorganic chemistry 61 (48) (2022)
Addison N Desnoyer, Amélie Nicolay, Micah S Ziegler, K V Lakshmi, Thomas R Cundari, T Don Tilley
A Dicopper Nitrenoid by Oxidation of a CuICuI Core: Synthesis, Electronic Structure, and Reactivity. Journal of the American Chemical Society 143 (18) (2021)
Domllermut C Alamo, Thomas R Cundari
DFT and TDDFT Study of the Reaction Pathway for Double Intramolecular C-H Activation and Functionalization by Iron, Cobalt, and Nickel-Nitridyl Complexes. Inorganic chemistry 60 (16) (2021)
Catherine A Moulder, Kristina Kafle, Christopher X Zhou, Thomas R Cundari
Thermochemistry of Tungsten-3p Elements for Density Functional Theory, Caveat Lector! The journal of physical chemistry. A 125 (2) (2021)
Yuyang Dong, Colton J Lund, Gerard J Porter, Ryan M Clarke, Shao Liang Zheng, Thomas R Cundari, Theodore A Betley
Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands. Journal of the American Chemical Society 143 (2) (2021)
Adaeze Osonkie, Ashwin Ganesan, Precious Chukwunenye, Fatima Anwar, Kabirat Balogun, Mojgan Gharaee, Ishika Rashed, Thomas R Cundari, Francis D'Souza, Jeffry A Kelber
Electrocatalytic Reduction of Nitrogen to Ammonia: the Roles of Lattice O and N in Reduction at Vanadium Oxynitride Surfaces. ACS applied materials & interfaces 14 (1) (2021)
Devika Pokhriyal, Spencer P Heins, Renee J Sifri, Dillon T Gentekos, Rachael E Coleman, Peter T Wolczanski, Thomas R Cundari, Brett P Fors, Kyle M Lancaster, Samantha N MacMillan
Reversible C-C Bond Formation, Halide Abstraction, and Electromers in Complexes of Iron Containing Redox-Noninnocent Pyridine-imine Ligands. Inorganic chemistry (2021)
Zhou Lu, Bhaskar Chilukuri, Chi Yang, Abdel-Monem M Rawashdeh, Ravi K Arvapally, Sammer M Tekarli, Xiaoping Wang, Christian T Cardenas, Thomas R Cundari, Mohammad A Omary
Au3-to-Ag3 coordinate-covalent bonding and other supramolecular interactions with covalent bonding strength. Chemical science 11 (41) (2020)
Ignacio Migliaro, Thomas R Cundari
Density Functional Study of Methane Activation by Frustrated Lewis Pairs with Group 13 Trihalides and Group 15 Pentahalides and a Machine Learning Analysis of Their Barrier Heights. Journal of chemical information and modeling 60 (10) (2020)
Mary E Anderson, Benoît Braïda, Philippe C Hiberty, Thomas R Cundari
Revealing a Decisive Role for Secondary Coordination Sphere Nucleophiles on Methane Activation. Journal of the American Chemical Society 142 (6) (2020)
Amy S Guan, Ivy X Liang, Christopher X Zhou, Thomas R Cundari
Metal and Ligand Effects on Coordinated Methane pKa: Direct Correlation with the Methane Activation Barrier. The journal of physical chemistry. A 124 (36) (2020)
Ashley M Wright, Dale R Pahls, J Brannon Gary, Theresa Warner, Jacob Z Williams, Spring Melody M Knapp, Kate E Allen, Clark R Landis, Thomas R Cundari, Karen I Goldberg
Experimental and Computational Investigation of the Aerobic Oxidation of a Late Transition Metal-Hydride. Journal of the American Chemical Society 141 (27) (2019)
Catherine A Moulder, Kristina Kafle, Thomas R Cundari
Tungsten-Ligand Bond Strengths for 2p Elements Including σ- and π-Bond Strength Components, A Density Functional Theory and ab Initio Study. The journal of physical chemistry. A 123 (37) (2019)
Yavuz S Ceylan, Thomas R Cundari
Direct Anti-Markovnikov Addition of Water to Olefin To Synthesize Primary Alcohols: A Theoretical Study. The journal of physical chemistry. A 123 (4) (2019)
Azadeh Nazemi, Thomas R Cundari
Importance of Nitrogen-Hydrogen Bond pKa in the Catalytic Coupling of Alkenes and Amines by Amidate Tantalum Complexes: A Computational Study. The journal of physical chemistry. A 123 (40) (2019)
Jack Ghannam, Zhicheng Sun, Thomas R Cundari, Matthias Zeller, Adriana Lugosan, Christopher M Stanek, Wei Tsung Lee
Intramolecular C-H Functionalization Followed by a [2σ + 2π] Addition via an Intermediate Nickel-Nitridyl Complex. Inorganic chemistry 58 (11) (2019)
D Matthew Peacock, Quan Jiang, Patrick S Hanley, Thomas R Cundari, John F Hartwig
Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp3 Carbon-Nitrogen Bonds. Journal of the American Chemical Society 140 (14) (2018)
Zhicheng Sun, Olivia A Hull, Thomas R Cundari
Computational Study of Methane C-H Activation by Diiminopyridine Nitride/Nitridyl Complexes of 3d Transition Metals and Main-Group Elements. Inorganic chemistry 57 (12) (2018)
Yavuz S Ceylan, Thomas R Cundari
Computational Analysis of Transition Metal-Terminal Boride Complexes. The journal of physical chemistry. A 121 (48) (2017)