Konstantinos D. Vogiatzis

University of Tennessee System

31H指数

148论文数

4.0K被引数

收录论文 50

发表时间

Reaction Channels of Iron-Oxo and Iron-Imido Molecular Intermediates 铁氧基和铁亚氨基分子中间体的反应通道

dalton trans.

IF0

2026-03-16

OAAI

Thomas D. Jones; Henry R. Brothers; Elokkin Pate-Geames; David M Jenkins; Konstantinos Vogiatzis

Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence 利用人工智能提升计算催化与化学反应活性

Journal of the American Chemical Society

IF15.6

2026-02-20

PREAI

Konstantinos 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

Calix[4]arene Design for Enhanced Carbon Capture via Topological Learning 杯[4]芳烃设计通过拓扑学习增强碳捕获

Chemistry-A European Journal

IF3.7

2026-02-01

OAAI

Laub, Jeffrey A.; Vogiatzis, Konstantinos D.

Capturing Electron Correlation with Machine Learning through a Data-Driven CASPT2 Framework

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-10-01

PREAI

Jones, Grier M.; Vogiatzis, Konstantinos D.

Thermodynamic Labeling Enables CO2 Prediction in Polymers of Intrinsic Microporosity under Small Data Constraints 热力学标记法能够在小数据约束条件下预测本征微孔聚合物中的CO2。

MACROMOLECULAR RAPID COMMUNICATIONS

IF4.3

2025-09-01

PREAI

Campbell, Johnathan W.; DeRegis, Ashley P.; Laub, Jeffrey A.; Sholl, David S.; Vogiatzis, Konstantinos D.

Augmenting MACCS Keys with Persistent Homology Fingerprints for Protein–Ligand Binding Classification 利用持久同调指纹增强MACCS Keys进行蛋白质-配体结合分类

Journal of Chemical Information and Modeling

IF5.3

2025-07-25

PREAI

Johnathan W. Campbell; Konstantinos D. Vogiatzis

Ligand design for 227Ac extraction by active learning and molecular topology 通过主动学习和分子拓扑进行227Ac萃取的配体设计

DIGITAL DISCOVERY

IF5.6

2025-01-01

OAAI

Laub, Jeffrey A.; Vogiatzis, Konstantinos D.

Measuring the Magnetic Anisotropy of Metal-Metal Multiple Bonds: The Importance of Correcting for Ligand Effects

INORGANIC CHEMISTRY

IF4.7

2024-08-14

PREAI

Lastowski, R. Joseph; Vogiatzis, Konstantinos D.; Girolami, Gregory S.

Constructing Crown Ether-Based Supramolecular Adhesives with Ambient-Temperature Applicable and Durable Adhesion 构建具有环境温度适用和持久附着力的冠醚基超分子粘合剂

ADVANCED FUNCTIONAL MATERIALS

IF19

2024-04-19

PREAI

Ju, Hao; Yin, Zhaoliang; Demchuk, Zoriana; Bocharova, Vera; Gainaru, Catalin; Laub, Jeffrey A.; Vogiatzis, Konstantinos; Advincula, Rigoberto; Chen, Jiayao; Cao, Peng-Fei

Ligand engineering of tetra N-heterocyclic carbenes for boosting catalytic aziridination

DALTON TRANSACTIONS

IF3.3

2024-01-01

PREAI

Smith, Brett A.; Hakimov, Somon; Jenkins, David M.; Vogiatzis, Konstantinos D.

Disparate reactivity of a chiral iron(II) tetracarbene complex with organic azides

DALTON TRANSACTIONS

IF3.3

2024-01-01

PREAI

Russell, Jerred J.; DeJesus, Joseph F.; Smith, Brett A.; Nalaoh, Phattananawee; Vogiatzis, Konstantinos D.; Jenkins, David M.

Three-Center M-H-B Bonds Are Strong Field Interactions. Synthesis and Characterization of M(CH2NMe2BH3)3 Complexes of Titanium, Chromium, and Cobalt

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2023-10-18

PREAI

Lastowski, R. Joseph; Yarranton, Jonathan T.; Zhu, Lingyang; Vogiatzis, Konstantinos D.; Girolami, Gregory S.

Polymer graph neural networks for multitask property learning

NPJ COMPUTATIONAL MATERIALS

IF11.9

2023-05-30

OAAI

Queen, Owen; McCarver, Gavin A.; Thatigotla, Saitheeraj; Abolins, Brendan P.; Brown, Cameron L.; Maroulas, Vasileios; Vogiatzis, Konstantinos D.

Data-driven ligand field exploration of Fe(iv)-oxo sites for C-H activation

INORGANIC CHEMISTRY FRONTIERS

IF6.4

2023-01-01

PREAI

Jones, Grier M.; Smith, Brett A.; Kirkland, Justin K.; Vogiatzis, Konstantinos D.

Computational investigation of functionalized carbenes on dinitrogen activation

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2022-12-08

OAAI

Kirkland, Justin K.; Johnson, Sophia K.; Vogiatzis, Konstantinos D.

Electrocatalytic Hydrogen Evolution Using A Molecular Antimony Complex under Aqueous Conditions: An Experimental and Computational Study on Main-Group Element Catalysis

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2022-07-25

PREAI

Williams, Caroline K.; McCarver, Gavin A.; Chaturvedi, Ashwin; Sinha, Soumalya; Ang, Marcus; Vogiatzis, Konstantinos D.; Jiang, Jianbing Jimmy

Mechanistic Investigations of Gas-Phase Catalytic Hydrogenation in Metal-Organic Frameworks: Cooperative Activity of the Metal and Linker Sites in CuxRh3-x(BTC)2 金属有机框架中气相催化氢化的机理研究: CuxRh3-x(BTC)2中金属和连接位点的协同活性

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-07-11

OAAI

Chen, 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.

A PEGylated Tin Porphyrin Complex for Electrocatalytic Proton Reduction: Mechanistic Insights into Main-Group-Element Catalysis

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2022-07-11

PREAI

Chaturvedi, Ashwin; McCarver, Gavin A.; Sinha, Soumalya; Hix, Elijah G.; Vogiatzis, Konstantinos D.; Jiang, Jianbing

Potent Anti-Inflammatory, Arylpyrazole-Based Glucocorticoid Receptor Agonists That Do Not Impair Insulin Secretion

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2021-09-15

OAAI

Kennedy, 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.

Redox states of dinitrogen coordinated to a molybdenum atom

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-06-11

PREAI

White, Maria, V; Kirkland, Justin K.; Vogiatzis, Konstantinos D.

研究方向