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Anita Rágyanszki
Anita Rágyanszki
Zuse Institute Berlin
Verified email at utoronto.ca - Homepage
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Cited by
Cited by
Year
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
122020
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
122018
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
102015
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
72018
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
72014
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
62018
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
52023
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
42020
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
32023
ANTIOXIDANT POTENTIAL OF BUTYLATED HYDROXYTOLUENE (BHT)–A THEORETICAL STUDY.
DK Thbayh, A Rágyanszki, B Fiser
Materials Science & Engineering 46 (1), 2021
32021
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
32020
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
32020
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
32018
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
32017
Machine learning estimation of reaction energy barriers
H Ji, A Rágyanszki, RA Fournier
Computational and Theoretical Chemistry 1229, 114332, 2023
22023
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
22021
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
22020
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
22019
Strained Small Nitrogen Heterocycles‐Azabicyclobutanes and Azirines
A Rágyanszki, B Fiser, E Lee‐Ruff, JF Liebman
ChemistrySelect 8 (26), e202301405, 2023
12023
Conformation change of opiorphin derivates. A theoretical study of the radical initiated epimerization of opiorphin
JJ Szórád, EP Faragó, A Rágyanszki, FA Cimino, B Fiser, MC Owen, ...
Chemical Physics Letters 626, 29-38, 2015
12015
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