2022
[1] I.
E. Gordon, L. S. Rothman, R. J. Hargreaves, R. Hashemi, E. V. Karlovets, F. M.
Skinner, E. K. Conway, C. Hill, R. V. Kochanova, Y. Tana, P. Wcislo, A. A.
Finenko, K. Nelson, P. F. Bernath, M. Birk, V. Boudon, A. Campargue, K. V.
Chance, A. Coustenis, B. J. Drouin, J.–M. Flaud, R. R. Gamache, J. T. Hodges,
D. Jacquemart, E. J. Mlawer, A. V. Nikitin, V. I. Perevalov, M. Rotger, K. P.
Shines, J. Tennyson, G. C. Toon, H. Tran, V. G. Tyuterev, E. M. Adkins, A. Baker,
A. Barber, E. Canev, A. G. Császár,
O. Egorov, A. J. Fleisher, A. Foltynowicz, T. Furtenbacher, J. J. Harrison,
J.–M. Hartmann, V.–M. Horneman, X. Huang, T. Karman, J. Karnsa, S. Kassi, I.
Kleiner, V. Kofman, F. Kwabia–Tchana, T. J. Lee, D. A. Longo, A. A.
Lukashevskaya, O. M. Lyulin, V. Yu. Makhneva, S. T. Massie, M. Melosso, S. N.
Mikhailenko, D. Mondelain, H. S. P. Müller, O. V. Naumenko, A. Perrin, O. L.
Polyansky, E. Raddaoui, P. L. Rastonah, Z. D. Reed, M. Rey, C. Richard, R.
Tóbiás, I. Sadieky, D. W. Schwenke, E. Starikova, K. Sung, F. Tamassia, S. A.
Tashkun, J. Vander Auwera, A. A. Vigasina, G. L. Villanueva, B. Vispoel, G.
Wagner, and S. N. Yurchenko, The HITRAN2020 Molecular Spectroscopic Database, J. Quant. Spectr. Rad. Transf. 2022, 277, 107949. https://doi.org/10.1016/j.jqsrt.2021.107949
[PDF (13338 kB)]
[2] B.
Rácsai, T. Furtenbacher, L. Fusina, G. Di Lonardo, and A. G. Császár, MARVEL Analysis of the High-Resolution Rovibrational
Spectra of H16O35Cl, J.
Mol. Spectrosc. (J. K. G. Watson
Special Issue) 2022, 384, 111561. https://doi.org/10.1016/j.jms.2021.111561 [PDF (904 kB)]
[3] I.
Simkó, A. G. Császár, T.
Szidarovszky, K. Chordiya, and M. U. Kahaly, A Quantum-Chemical Perspective on
the Laser-Induced Alignment and Orientation of the CH3X (X = F, Cl,
Br, I) Molecules, J. Comp. Chem. 2022, 43, 519-538. https://doi.org/10.1002/jcc.26811
[PDF (4415 kB)]
[4] R. R. Gamache, B. Vispoel, M. Rey, V. Tyuterev, A. Barbe, A. Nikitin, O. L. Polyansky, J. Tennyson, S. N. Yurchenko, A. G. Császár, T. Furtenbacher, V. I. Perevalov, and S. A. Tashkun, Partition Sums for Non-Local Thermodynamic Equilibrium Conditions for Nine Molecules of Importance in Planetary Atmospheres, Icarus 2022, 378, 114947. https://doi.org/10.1016/j.icarus.2022.114947 [PDF (661 kB)]
[5] R.
Tóbiás, P. Árendás, and A. G. Császár,
Normal-Mode Vibrational Analysis of Weakly-Bound Oligomers at Constrained
Stationary Points of Arbitrary Order, J.
Chem. Theory Comput. 2022, 18, 1788-1798. https://doi.org/10.1021/acs.jctc.1c01148
[6] E.
Vogt, I. Simkó, A. G. Császár, and
H. G. Kjaergaard, Reduced-Dimensional Vibrational Models of the Water Dimer, J. Chem. Phys. 2022, 156, 164304. https://doi.org/10.1063/5.0090013
[PDF (6483 kB)]
[7] D.
Kedziera, G. Rauhut, and A. G. Császár,
Structure, Energetics, and Dynamics of the Chromophores of HHen+, H2Hen+, and Hen+ Clusters, Phys. Chem. Chem. Phys. 2022, in press. https://doi.org/10.1039/d1cp05535f
[8] M.
L. Diouf, R. Tóbiás, T. van der Schaaf, F. M. J. Cozijn, E. J. Salumbides, A. G. Császár, and W. Ubachs,
Ultraprecise Rovibrational Energies in the (2 0 0) Vibrational Parent
of H216O, Mol.
Phys. 2022, in press. https://doi.org/10.1080/00268976.2022.2050430
[9] A. G. Császár, C. Fábri, and J. Rawlinson, Dynamics of Quasistructural Molecules, Magy. Kém. Foly. 2022, in press (in Hungarian).
[10] T. Furtenbacher, S. T. Hegedus, J. Tennyson, and A. G. Császár, Analysis of Measured High-Resolution Doublet Rovibronic Spectra and Related Line Lists of 12CH and 16OH, Phys. Chem. Chem. Phys. 2022, submitted for publication.
[11] H.
Kageyama, T. Szidarovszky, T. Ando, A. Iwasaki, A. G. Császár, and K. Yamanouchi, Vibrational Wave-Packet Dynamics
of H2O+ and H2O by Strong-Field
Fourier-Transform Spectroscopy, Chem.
Phys. Lett. (Kozo Kuchitsu Memorial Issue) 2022, submitted for publication.
[12] I.
Simkó, C. Fábri, A. G. Császár, O.
Asvany, S. Schlemmer, F. Brieuc, C. Schran, and D. Marx, Emergence of
Large-Scale Vibrational Delocalization, Angew.
Chem. Int. Ed. 2022, to be
submitted.
[13] I. Simkó, R. Tóbiás, and A. G. Császár, Structures and Spectroscopic Signatures of Linear Molecules Solvated Nonlinearly by Rare-Gas Atoms, Sci. Rep. 2022, to be submitted.
[14] M. L. Diouf, R. Tóbiás, F. M. J. Cozijn, E. J. Salumbides, C. Fábri, C. Puzzarini, A. G. Császár, and W. Ubachs, Symmetry-Breaking Phenomena in HDO Observed via Non-Linear Precision Spectroscopy, Opt. Expr. 2022, to be submitted.