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Konstantinos D. Vogiatzis

University of Tennessee System

31H-index
148Paper Count
4.0KCitation Count
Published Papers 50
Publication Date
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Reaction Channels of Iron-Oxo and Iron-Imido Molecular Intermediates
errdalton trans.
IF0
err2026-03-16
err0
errOAAI
errThomas D. Jones; Henry R. Brothers; Elokkin Pate-Geames; David M Jenkins; Konstantinos Vogiatzis
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Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence
errJournal of the American Chemical Society
IF15.6
err2026-02-20
err0
PREAI
errKonstantinos D. Vogiatzis; Clémence Corminboeuf; Ainara Nova; Kjell Jorner; Johannes Kästner; Markus Meuwly; Philippe Schwaller; Victor Böttcher; Maria Drosou; Edvin Fako; Hannes Hoppe; Zarko Ivkovic; Nestor Iwanojko; Dimitrios A. Pantazis; Stefan P. Schmid; Kalman Szenes; Auguste Tetenoire; Markus Reiher
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Calix[4]arene Design for Enhanced Carbon Capture via Topological Learning
errChemistry-A European Journal
IF3.7
err2026-02-01
err0
errOAAI
errLaub, Jeffrey A.; Vogiatzis, Konstantinos D.
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Capturing Electron Correlation with Machine Learning through a Data-Driven CASPT2 Framework
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-10-01
err0
PREAI
errJones, Grier M.; Vogiatzis, Konstantinos D.
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Thermodynamic Labeling Enables CO2 Prediction in Polymers of Intrinsic Microporosity under Small Data Constraints
errMACROMOLECULAR RAPID COMMUNICATIONS
IF4.3
err2025-09-01
err0
PREAI
errCampbell, Johnathan W.; DeRegis, Ashley P.; Laub, Jeffrey A.; Sholl, David S.; Vogiatzis, Konstantinos D.
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Augmenting MACCS Keys with Persistent Homology Fingerprints for Protein–Ligand Binding Classification
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-25
err0
PREAI
errJohnathan W. Campbell; Konstantinos D. Vogiatzis
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Ligand design for 227Ac extraction by active learning and molecular topology
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errLaub, Jeffrey A.; Vogiatzis, Konstantinos D.
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Measuring the Magnetic Anisotropy of Metal-Metal Multiple Bonds: The Importance of Correcting for Ligand Effects
errINORGANIC CHEMISTRY
IF4.7
err2024-08-14
err0
PREAI
errLastowski, R. Joseph; Vogiatzis, Konstantinos D.; Girolami, Gregory S.
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Constructing Crown Ether-Based Supramolecular Adhesives with Ambient-Temperature Applicable and Durable Adhesion
errADVANCED FUNCTIONAL MATERIALS
IF19
err2024-04-19
err2
PREAI
errJu, Hao; Yin, Zhaoliang; Demchuk, Zoriana; Bocharova, Vera; Gainaru, Catalin; Laub, Jeffrey A.; Vogiatzis, Konstantinos; Advincula, Rigoberto; Chen, Jiayao; Cao, Peng-Fei
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Ligand engineering of tetra N-heterocyclic carbenes for boosting catalytic aziridination
errDALTON TRANSACTIONS
IF3.3
err2024-01-01
err0
PREAI
errSmith, Brett A.; Hakimov, Somon; Jenkins, David M.; Vogiatzis, Konstantinos D.
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Disparate reactivity of a chiral iron(II) tetracarbene complex with organic azides
errDALTON TRANSACTIONS
IF3.3
err2024-01-01
err0
PREAI
errRussell, Jerred J.; DeJesus, Joseph F.; Smith, Brett A.; Nalaoh, Phattananawee; Vogiatzis, Konstantinos D.; Jenkins, David M.
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Three-Center M-H-B Bonds Are Strong Field Interactions. Synthesis and Characterization of M(CH2NMe2BH3)3 Complexes of Titanium, Chromium, and Cobalt
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-10-18
err1
PREAI
errLastowski, R. Joseph; Yarranton, Jonathan T.; Zhu, Lingyang; Vogiatzis, Konstantinos D.; Girolami, Gregory S.
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errSave
Polymer graph neural networks for multitask property learning
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2023-05-30
err26
errOAAI
errQueen, Owen; McCarver, Gavin A.; Thatigotla, Saitheeraj; Abolins, Brendan P.; Brown, Cameron L.; Maroulas, Vasileios; Vogiatzis, Konstantinos D.
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Data-driven ligand field exploration of Fe(iv)-oxo sites for C-H activation
errINORGANIC CHEMISTRY FRONTIERS
IF6.4
err2023-01-01
err3
PREAI
errJones, Grier M.; Smith, Brett A.; Kirkland, Justin K.; Vogiatzis, Konstantinos D.
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Computational investigation of functionalized carbenes on dinitrogen activation
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-12-08
err1
errOAAI
errKirkland, Justin K.; Johnson, Sophia K.; Vogiatzis, Konstantinos D.
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Electrocatalytic Hydrogen Evolution Using A Molecular Antimony Complex under Aqueous Conditions: An Experimental and Computational Study on Main-Group Element Catalysis
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2022-07-25
err10
PREAI
errWilliams, Caroline K.; McCarver, Gavin A.; Chaturvedi, Ashwin; Sinha, Soumalya; Ang, Marcus; Vogiatzis, Konstantinos D.; Jiang, Jianbing Jimmy
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Mechanistic Investigations of Gas-Phase Catalytic Hydrogenation in Metal-Organic Frameworks: Cooperative Activity of the Metal and Linker Sites in CuxRh3-x(BTC)2
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-07-11
err4
errOAAI
errChen, Donna A.; Jimenez, Juan D.; Senanayake, Sanjaya D.; Stetzler, Julian P.; Shakya, Deependra M.; McCarver, Gavin A.; Rajeshkumar, Thayalan; Vogiatzis, Konstantinos D.; Mathur, Abhijai; Shustova, Natalia B.; Myrick, Michael L.; Metavarayuth, Kamolrat; Royko, Michael M.; Lauterbach, Jochen; Tate, Gregory L.; Monnier, John R.
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A PEGylated Tin Porphyrin Complex for Electrocatalytic Proton Reduction: Mechanistic Insights into Main-Group-Element Catalysis
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2022-07-11
err18
PREAI
errChaturvedi, Ashwin; McCarver, Gavin A.; Sinha, Soumalya; Hix, Elijah G.; Vogiatzis, Konstantinos D.; Jiang, Jianbing
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Potent Anti-Inflammatory, Arylpyrazole-Based Glucocorticoid Receptor Agonists That Do Not Impair Insulin Secretion
errACS MEDICINAL CHEMISTRY LETTERS
IF4
err2021-09-15
err3
errOAAI
errKennedy, Brandon J.; Lato, Ashley M.; Fisch, Alexander R.; Burke, Susan J.; Kirkland, Justin K.; Prevatte, Carson W.; Dunlap, Lee E.; Smith, Russell T.; Vogiatzis, Konstantinos D.; Collier, J. Jason; Campagna, Shawn R.
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Redox states of dinitrogen coordinated to a molybdenum atom
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-06-11
err3
PREAI
errWhite, Maria, V; Kirkland, Justin K.; Vogiatzis, Konstantinos D.
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errSave

Research Directions

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Co-authors
Cooperation Journals
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Donald G. Truhlar
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Jeffrey R. Long
H-index: 148 · Papers: 1.1K
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Randall Q. Snurr
H-index: 116 · Papers: 647
D
Daniel G. Nocera
H-index: 116 · Papers: 1.0K
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Emiel J. M. Hensen
H-index: 114 · Papers: 805
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