Contact

Room
3356
Phone
+49 30 84185-207
Email

Publications

2023
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 dipole moment Journal of Molecular Spectroscopy, Vol.391, p. 111736, 2023 Gregory K. Koyanagi, Ricardo Lewis Lambo, Anita Ragyanszki, Rene A. Fournier, Marko W. Horbatsch, Eric A. Hessels BibTeX
DOI
Ragyanszki, Dr. Anita
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 moment Molecular Physics, 121(6), 2023 Ricardo Lewis Lambo, Gregory K. Koyanagi, Anita Ragyanszki, Marko Horbatsch, Rene Fournier, Eric A. Hessels BibTeX
DOI
Ragyanszki, Dr. Anita
Chemical space of the singlet C4H8O2 species. A systematic theoretical analysis on their structural and thermochemical properties Computational and Theoretical Chemistry, Vol.1225, p. 114162, 2023 Zsofia Borbala Rozsa, Anita Ragyanszki, Bela Viskolcz, Milan Szori BibTeX
DOI
Ragyanszki, Dr. Anita
Machine learning estimation of reaction energy barriers Computational and Theoretical Chemistry, Vol.1229, p. 114332, 2023 Hongchen Ji, Anita Ragyanszki, Rene A. Fournier BibTeX
DOI
Ragyanszki, Dr. Anita
Strained Small Nitrogen Heterocycles-Azabicyclobutanes and Azirines ChemistrySelect, 8(26), 2023 Anita Ragyanszki, Bela Fiser, Edward Lee-Ruff, Joel F. Liebman BibTeX
DOI
Ragyanszki, Dr. Anita
The kinetics of uncatalyzed and catalyzed urethane forming reactions of aliphatic diisocyanates with butan-1-ol New J. Chem., Vol.47, pp. 16096-16107, 2023 Anett Juhasz, Uneri Haymana Serra, Csilla Lakatos, Bence Vadkerti, Anita Ragyanszki, Odon Farkas, Sandor Keki, Lajos Nagy BibTeX
DOI
Ragyanszki, Dr. Anita