Formation of acetamide in interstellar medium L Foo, A Surányi, A Guljas, M Szőri, JJ Villar, B Viskolcz, IG Csizmadia, ... Molecular Astrophysics 13, 1-5, 2018 | 14 | 2018 |
Fine-tuning the catalytic activity by applying nitrogen-doped carbon nanotubes as catalyst supports for the hydrogenation of olefins E Sikora, A Kiss, Z H. Göndör, P Pekker, F Kristály, M Szőri, A Rágyanszki, ... Reaction Kinetics, Mechanisms and Catalysis 129, 95-106, 2020 | 13 | 2020 |
Big data reduction by fitting mathematical functions: A search for appropriate functions to fit Ramachandran surfaces A Rágyanszki, KZ Gerlei, A Surányi, A Kelemen, SJK Jensen, ... Chemical Physics Letters 625, 91-97, 2015 | 10 | 2015 |
Calculation of the local environment of a barium monofluoride molecule in an argon matrix: a step towards using matrix-isolated BaF for determining the electron electric dipole … RL Lambo, GK Koyanagi, A Ragyanszki, M Horbatsch, R Fournier, ... Molecular Physics 121 (6), e2198044, 2023 | 8 | 2023 |
Industrial application of molecular computations on the dimerization of methylene diphenyl diisocyanate RZ Boros, A Rágyanszki, IG Csizmadia, B Fiser, A Guljas, L Farkas, ... Reaction Kinetics, Mechanisms and Catalysis 124, 1-14, 2018 | 7 | 2018 |
Fourier type potential energy function for conformational change of selected organic functional groups A Rágyanszki, A Surányi, IG Csizmadia, A Kelemen, SJK Jensen, ... Chemical Physics Letters 599, 169-174, 2014 | 7 | 2014 |
Accurate calculation of the interaction of a barium monofluoride molecule with an argon atom: A step towards using matrix isolation of BaF for determining the electron electric … GK Koyanagi, RL Lambo, A Ragyanszki, R Fournier, M Horbatsch, ... Journal of Molecular Spectroscopy 391, 111736, 2023 | 6 | 2023 |
Reactivity of Ala-Gly dipeptide with β-turn secondary structure PY Craig, KZ Gerlei, A Rágyanszki, SJK Jensen, B Viskolcz, IG Csizmadia Chemical Physics Letters 692, 402-406, 2018 | 6 | 2018 |
Ketene and Ammonia Forming Acetamide in the Interstellar Medium A Kothari, L Zhu, J Babi, N Galant, A Rágyanszki, I Csizmadia Journal of Undergraduate Life Sciences 14 (1), 1-1, 2020 | 5 | 2020 |
Predicted Reversal in N-Methylazepine/N-Methyl-7-azanorcaradiene Equilibrium upon Formation of Their N-Oxides R Fournier, AR Green, A Greenberg, E Lee-Ruff, JF Liebman, ... Molecules 25 (20), 4767, 2020 | 4 | 2020 |
ANTIOXIDANT POTENTIAL OF BUTYLATED HYDROXYTOLUENE (BHT)–A THEORETICAL STUDY. DK Thbayh, A Rágyanszki, B Fiser Materials Science & Engineering 46 (1), 2021 | 3 | 2021 |
Quantum chemical study of the formation of urea in interstellar medium L Zhu, A Kothari, J Babi, N Galant, A Rágyanszki, I Csizmadia Journal of Undergraduate Life Sciences 14 (1), 2-2, 2020 | 3 | 2020 |
Oxidatively-mediated in silico epimerization of a highly amyloidogenic segment in the human calcitonin hormone (hCT15-19) AKM Hamid, JC Salvatore, K Wang, P Murahari, A Guljas, A Rágyanszki, ... Computational Biology and Chemistry 80, 259-269, 2019 | 3 | 2019 |
An improved two-rotor function for conformational potential energy surfaces of 20 amino acid diamides JJS Villar, ARL Valdez, DH Setiadi, IG Csizmadia, B Viskolcz, ... Canadian Journal of Chemistry 96 (1), 58-71, 2018 | 3 | 2018 |
Dimension reduction in conformational analysis: a two-rotor mathematical model of amino acid diamide conformational potential energy surface JJS Villar, ARL Valdez, DH Setiadi, B Fiser, B Viskolcz, IG Csizmadia, ... Canadian Journal of Chemistry 95 (8), 830-836, 2017 | 3 | 2017 |
Machine learning estimation of reaction energy barriers H Ji, A Rágyanszki, RA Fournier Computational and Theoretical Chemistry 1229, 114332, 2023 | 2 | 2023 |
Photochemical Valence Isomerization to High Energy Products—Bicyclobutanes and Oxabicyclobutanes † A Rágyanszki, B Fiser, E Lee‐Ruff, JF Liebman Photochemistry and Photobiology 97 (6), 1353-1364, 2021 | 2 | 2021 |
Understanding the Origins of Life-the Constituents of Interstellar Medium as the Source of Life's Building Blocks A Rágyanszki, H Ji, R Fournier Biophysical Journal 118 (3), 339a-340a, 2020 | 2 | 2020 |
Strained Small Nitrogen Heterocycles‐Azabicyclobutanes and Azirines A Rágyanszki, B Fiser, E Lee‐Ruff, JF Liebman ChemistrySelect 8 (26), e202301405, 2023 | 1 | 2023 |
Chemical space of the singlet C4H8O2 species. A systematic theoretical analysis on their structural and thermochemical properties ZB Rózsa, A Rágyanszki, B Viskolcz, M Szőri Computational and Theoretical Chemistry 1225, 114162, 2023 | 1 | 2023 |