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8 results in Authors: Ádám Madarász

Theoretical and Computational Chemistry

Working Paper

Two Faces of the Two Phase Thermodynamic Model

Ádám Madarász, Andrea Hamza, Dávid Ferenc, Imre Bakó

Version 3 posted 22 September 2021

755

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Theoretical and Computational Chemistry

Working Paper

Application of Deconvolution in Path Integral Simulations

Ádám Madarász, Gergely Laczkó

Version 2 posted 08 July 2024

113

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Theoretical and Computational Chemistry

Working Paper

N-alkylated pyridoxal derivatives as negative electrolyte materials for aqueous organic flow batteries: Computational screening

Andrea Hamza, Flóra Boróka Németh, Ádám Madarász, Anton Nechaev, Petri Pihko, Pekka Peljo, Imre Pápai

Version 1 posted 27 March 2023

169

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Catalysis

Working Paper

Carboxylate catalyzed isomerization of β,γ-unsaturated NAC thioesters

Saara Riuttamäki, Gergely Laczko, Adam Madarasz, Tamas Földes, Imre Papai, Anton Bannykh, Petri Pihko

Version 1 posted 01 April 2022

237

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Physical Chemistry

Working Paper

A Practice-Oriented Benchmark Strategy to Predict the UV-Vis Spectra of Organic Photocatalysts

Péter Pál Fehér, Ádám Madarász, András Stirling

Version 3 posted 25 November 2022

825

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Theoretical and Computational Chemistry

Working Paper

Prediction of Redox Power for Photocatalysts: Synergistic Combination of DFT and Machine Learning

Péter Pál Fehér, Ádám Madarász, András Stirling

Version 1 posted 09 March 2023

355

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Theoretical and Computational Chemistry

Working Paper

Multiscale Modeling of Electronic Spectra Including Nuclear Quantum Effects

Péter Fehér, Ádám Madarász, András Stirling

Version 2 posted 17 August 2021

424

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Physical Chemistry

Working Paper

2-in-1 Phase Space Sampling for Calculating the Absorption Spectrum of the Hydrated Electron

László Turi, Bence Baranyi, Ádám Madarász

Version 2 posted 23 April 2024

196

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8 results in Ádám Madarász in Authors: Ádám Madarász

Two Faces of the Two Phase Thermodynamic Model

Application of Deconvolution in Path Integral Simulations

N-alkylated pyridoxal derivatives as negative electrolyte materials for aqueous organic flow batteries: Computational screening

Carboxylate catalyzed isomerization of β,γ-unsaturated NAC thioesters

A Practice-Oriented Benchmark Strategy to Predict the UV-Vis Spectra of Organic Photocatalysts

Prediction of Redox Power for Photocatalysts: Synergistic Combination of DFT and Machine Learning

Multiscale Modeling of Electronic Spectra Including Nuclear Quantum Effects

2-in-1 Phase Space Sampling for Calculating the Absorption Spectrum of the Hydrated Electron

8 results in Authors: Ádám Madarász