Imre Pápai

HUN-REN Research Centre for Natural Sciences — Hungary

Materials Science · Physical Sciences

51h-index8.8kcitations320works2.42yr avg
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Research Topics

Crystallization and Solubility Studies(86), X-ray Diffraction in Crystallography(86), Crystallography and molecular interactions(59), Organoboron and organosilicon chemistry(49), Asymmetric Hydrogenation and Catalysis(44)

Publications320 total

PredPotS: web tool for predicting one-electron standard reduction potentials for organic molecules in aqueous phase
npj Computational Materials·2025Open Access
Understanding DFT Uncertainties for More Reliable Reactivity Predictions by Advancing the Analysis of Error Sources
Journal of Chemical Theory and Computation·2025· 4 citedOpen Access
Understanding DFT uncertainties for more reliable reactivity predictions by advancing the analysis of error sources
2025
PredPotS – A Web Tool for Predicting One-Electron Standard Reduction Potentials for Organic Molecules in Aqueous Phase
2025Open Access
Counterintuitive Photochemistry of an Isolated Acridinyl Radical: ConPET via Preassembly, Solvated Electrons or a Long‐Lived Excited State?
Angewandte Chemie·2025Open Access
Counterintuitive Photochemistry of an Isolated Acridinyl Radical: ConPET via Preassembly, Solvated Electrons or a Long‐Lived Excited State?
Angewandte Chemie International Edition·2025· 9 citedOpen Access
PredPotS – A Web Tool for Predicting One-Electron Standard Reduction Potentials for Organic Molecules in Aqueous Phase
2025Open Access
Understanding DFT uncertainties for more reliable reactivity predictions by advancing the analysis of error sources
2025Open Access
Counterintuitive Photochemistry of an Isolated Acridinyl Radical: ConPET via Preassembly, Solvated Electrons, or a Long-Lived Excited State?
2025Open Access
Counterintuitive Photochemistry of an Isolated Acridinyl Radical: ConPET via Preassembly Despite a Long-Lived Excited State
2025Open Access
Intermolecular Carbanion Attack on Nitro <i>vs</i>. Carbonyl Group: Experimental and Computational Studies
European Journal of Organic Chemistry·2024Open Access
Convenient Partial Reduction of CO<sub>2</sub> to a Useful C<sub>1</sub> Building Block: Efficient Access to <sup>13</sup>C‐Labelled N‐Heterocyclic Carbenes
ChemCatChem·2024Open Access
Reversible covalent c-Jun N-terminal kinase inhibitors targeting a specific cysteine by precision-guided Michael-acceptor warheads
Nature Communications·2024· 15 citedOpen Access
Author response for "Illuminating the Multiple Lewis Acidity of Triaryl-Boranes via Atropisomeric Dative Adducts"
2024
Author response for "Illuminating the Multiple Lewis Acidity of Triaryl-Boranes via Atropisomeric Dative Adducts"
2024
Exploration of Vitamin B <sub>6</sub> ‐Based Redox‐Active Pyridinium Salts Towards the Application in Aqueous Organic Flow Batteries
Chemistry - A European Journal·2024· 1 citedOpen Access
Author response for "Synergetic effects on the capture and release of CO2 using guanidine and amidine superbases"
2024
“Inverted” Cyclic(Alkyl)(Amino)Carbene (CAAC) Ruthenium Complex Catalyzed Isomerization Metathesis (ISOMET) of Long Chain Olefins to Propylene at Low Ethylene Pressure
Advanced Science·2024· 13 citedOpen Access
Exploration of Vitamin B6-Based Redox-Active Pyridinium Salts towards the Application in Aqueous Organic Flow Batteries
2024· 1 citedOpen Access
Stereocontrol via Propeller Chirality in FLP‐Catalyzed Asymmetric Hydrogenation
Chemistry - A European Journal·2024· 2 citedOpen Access
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Frequent Co-authors

Tibor András Rokob(11), Andrea Hamza(10), Tibor Soós(10), András Stirling(9), Gábor Schubert(7), Bianka Kótai(6), Michele Aresta(6), Ádám Madarász(5), Martin Nieger(5), Timo Repo(5), Angela Dibenedetto(5), Carlo Pastore(5), Konstantin Chernichenko(4), Markku Leskelä(4), Dennis R. Salahub(3), Gábor Erős(3), Mehdi Hasan(3), P. Király(3), Gábor Tárkányi(3), Tamás Földes(3)