[1] I. Simkó, C. Fábri, and A. G. Császár, Quantum-Chemical and Quantum-Graph Models of the Dynamical Structure of CH₅⁺, J. Chem. Theory Comput. 2023, 19, 42-50. https://doi.org/10.1021/acs.jctc.2c00991 [PDF (3756 kB)]

[2] A. G. Császár, Research in the Fourth Age of Quantum Chemistry, Magy. Kém. Foly. 2023, 129, 15-33 (in Hungarian). https://doi.org/10.24100/MKF.2023.01.15 [PDF (1072 kB)]

[3] A. Castrillo, E. Fasci, M. Asad Khan, S. Gravina, L. Gianfrani, T. Furtenbacher, and A. G. Császár, ¹²C₂H₂ Near-Infrared Spectrum: Absolute Transition Frequencies and an Improved Spectroscopic Network at the kHz Accuracy Level, Phys. Chem. Chem. Phys. 2023, 25, 23614-23625. https://doi.org/10.1039/d3cp01835k [PDF (2221 kB)]

[4] I. Simkó, C. Schran, F. Brieuc, C. Fábri, O. Asvany, S. Schlemmer, D. Marx, and A. G. Császár, Quantum Nuclear Delocalization and its Rovibrational Fingerprints, Angew. Chem. Int. Ed. 2023, 62, e202306744. https://doi.org/10.1002/anie.202306744 [PDF (1722 kB)]

[5] G. Ecseri, I. Simkó, T. Furtenbacher, B. Rácsai, L. Fusina, G. Di Lonardo, K. A. Peterson, A. G. Császár, Joint Analysis of the Experimental High-Resolution Spectra of H¹⁶O³⁷Cl and H¹⁶O³⁵Cl with Emphasis on the 2n₂ Band, J. Mol. Spectrosc. 2023, 397, 111834. https://doi.org/10.1016/j.jms.2023.111834 [PDF (2884 kB)]

[6] E. Vogt, I. Simkó, A. G. Császár, and H. Kjaergaard, Quantum Chemical Investigation of the Cold Water Dimer Spectrum in the First OH-Stretching Overtone Region Provides a New Interpretation, J. Phys. Chem. A 2023, 127, 9409-9418. https://doi.org/10.1021/acs.jpca.3c03705 [PDF (2584 kB)]

[7] I. Simkó, R. Tóbiás, and A. G. Császár, Unusual Dynamics and Spectroscopic Fingerprints of van der Waals Dimers Formed by Linear Molecules and Rare-Gas Atoms, J. Chem. Theory Comput. 2023, 19, 8767-8781. https://doi.org/10.1021/acs.jctc.3c00914 [PDF (4903 kB)]