Publications by authors named "Alexander Ryabov"

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A Macrocyclic Iron Complex with Pyridinium Amidate, Amidate, and Sulfonamidate -Donor Atoms as Oxidation Catalysts.
Yongjian Chen, Tilo Söhnel, Alexander D Ryabov, Terrence J Collins, L James Wright

Inorg Chem· December 2025

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Beyond Mimicking Enzymes: NewTAML/Peroxide Abstracts sp C-H Bonds to Initiate Biotranscendent Water-Purifying Mineralization of Fluoroquinolone Antibiotics.
Xiaowei Ma, Longzhu Q Shen, Minerva G Schafer, Karl H G Schulz, Roberto R Gil, Alexander D Ryabov

J Am Chem Soc· December 2025

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Catalytic Oxidation of Naphthalene and Polycyclic Arenes by Iron(III) TAML/HO in Water Aiming at Their Efficient Removal from Aqua Natural Systems.
Parameswar Pal, Chimezie Anyakora, Alexander D Ryabov, Terrence J Collins

Chemistry· August 2025

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On the practical applicability of DM21 neural-network DFT functional for chemical calculations: Focus on geometry optimization.
Kirill Kulaev, Alexander Ryabov, Michael G Medvedev, Evgeny Burnaev, Vladimir Vanovskiy

J Chem Phys· August 2025

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The Mechanism of Formation of Active Fe-TAMLs Using HClO Enlightens Design for Maximizing Catalytic Activity at Environmentally Optimal, Circumneutral pH.
Parameswar Pal, Minerva G Schafer, Michael P Hendrich, Alexander D Ryabov, Terrence J Collins

Inorg Chem· April 2023

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On TAML Catalyst Resting State Lifetimes: Kinetic, Mechanistic, and Theoretical Insight into Phosphate-Induced Demetalation of an Iron(III) Bis(sulfonamido)bis(amido)-TAML Catalyst.
Hannah C Frame, Longzhu Q Shen, Alexander D Ryabov, Terrence J Collins

Inorg Chem· January 2023

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Process Parameter Selection for Production of Stainless Steel 316L Using Efficient Multi-Objective Bayesian Optimization Algorithm.
Timur Chepiga, Petr Zhilyaev, Alexander Ryabov, Alexey P Simonov, Oleg N Dubinin

Materials (Basel)· January 2023

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nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset.
Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov, Artem Tsypin, Alexander Telepov

Phys Chem Chem Phys· November 2022

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Comment on "Pushing the frontiers of density functionals by solving the fractional electron problem".
Igor S Gerasimov, Timofey V Losev, Evgeny Yu Epifanov, Irina Rudenko, Ivan S Bushmarinov, Alexander A Ryabov

Science· August 2022

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Application of two-component neural network for exchange-correlation functional interpolation.
Alexander Ryabov, Iskander Akhatov, Petr Zhilyaev

Sci Rep· August 2022

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Cyclometalated Osmium Compounds and beyond: Synthesis, Properties, Applications.
Ricardo Cerón-Camacho, Manuel A Roque-Ramires, Alexander D Ryabov, Ronan Le Lagadec

Molecules· March 2021

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Quantifying evolving toxicity in the TAML/peroxide mineralization of propranolol.
Yogesh Somasundar, Abigail E Burton, Matthew R Mills, David Z Zhang, Alexander D Ryabov

iScience· January 2021

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The Exchange of Cyclometalated Ligands.
Alexander D Ryabov

Molecules· January 2021

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Predicting Properties of Iron(III) TAML Activators of Peroxides from Their III/IV and IV/V Reduction Potentials or a Lost Battle to Peroxidase.
Yogesh Somasundar, Longzhu Q Shen, Alexis G Hoane, Evan Z Kaaret, Genoa R Warner, Alexander D Ryabov

Chemistry· November 2020

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TAML- and Buffer-Catalyzed Oxidation of Picric Acid by HO: Products, Kinetics, DFT, and the Mechanism of Dual Catalysis.
Soumen Kundu, Longzhu Q Shen, Yogesh Somasundar, Medini Annavajhala, Alexander D Ryabov

Inorg Chem· September 2020

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Zero-Order Catalysis in TAML-Catalyzed Oxidation of Imidacloprid, a Neonicotinoid Pesticide.
Genoa R Warner, Yogesh Somasundar, Cindy Weng, Mete H Akin, Alexander D Ryabov

Chemistry· June 2020

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Oxidative Catalysis by TAMLs: Obtaining Rate Constants for Non-Absorbing Targets by UV-Vis Spectroscopy.
Yogesh Somasundar, Iris C Lu, Matthew R Mills, Lisa Y Qian, Ximena Olivares, Alexander D Ryabov

Chemphyschem· June 2020

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Neural network interpolation of exchange-correlation functional.
Alexander Ryabov, Iskander Akhatov, Petr Zhilyaev

Sci Rep· May 2020

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A Synthetically Generated LFeOH Complex.
Andrew C Weitz, Matthew R Mills, Alexander D Ryabov, Terrence J Collins, Yisong Guo

Inorg Chem· February 2019

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Structural, Mechanistic, and Ultradilute Catalysis Portrayal of Substrate Inhibition in the TAML-Hydrogen Peroxide Catalytic Oxidation of the Persistent Drug and Micropollutant, Propranolol.
Yogesh Somasundar, Longzhu Q Shen, Alexis G Hoane, Liang L Tang, Matthew R Mills, Alexander D Ryabov

J Am Chem Soc· September 2018

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Bis phenylene flattened 13-membered tetraamide macrocyclic ligand (TAML) for square planar cobalt(III).
W Chadwick Ellis, Alexander D Ryabov, Andreas Fischer, Joshua A Hayden, Longzhu Q Shen

J Coord Chem· June 2018

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Iron(III) Ejection from a "Beheaded" TAML Activator: Catalytically Relevant Mechanistic Insight into the Deceleration of Electrophilic Processes by Electron Donors.
Matthew R Mills, Longzhu Q Shen, David Z Zhang, Alexander D Ryabov, Terrence J Collins

Inorg Chem· September 2017

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Targeting of High-Valent Iron-TAML Activators at Hydrocarbons and Beyond.
Terrence J Collins, Alexander D Ryabov

Chem Rev· July 2017

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A "Beheaded" TAML Activator: A Compromised Catalyst that Emphasizes the Linearity between Catalytic Activity and pK.
Matthew R Mills, Andrew C Weitz, David Z Zhang, Michael P Hendrich, Alexander D Ryabov

Inorg Chem· December 2016

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Impact of cyclometalated ruthenium(II) complexes on lactate dehydrogenase activity and cytotoxicity in gastric and colon cancer cells.
Hugo Rico Bautista, Rafael Omar Saavedra Díaz, Longzhu Q Shen, Christophe Orvain, Christian Gaiddon, Alexander D Ryabov

J Inorg Biochem· October 2016

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