All Stories

  1. Erratum: “MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra and Definitive Ideal-Gas Thermochemistry of the 16O2 Molecule” [J. Phys. Chem. Ref. Data 48, 023101 (2019)]

    Article • Journal of Physical and Chemical Reference Data, July 2025, American Institute of Physics

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  2. MARVEL Analysis of High‐Resolution Rovibrational Spectra of 16O13C18O

    Article • Journal of Computational Chemistry, December 2024, Wiley

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  3. The W2024 database of the water isotopologue $${{\rm{H}}}_{2}^{\,16}{\rm{O}}$$

    Article • Scientific Data, September 2024, Springer Science + Business Media

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  4. MARVEL analysis of high-resolution rovibrational spectra of the 18O12C18O, 17O12C18O, and 18O13C18O isotopologues of carbon dioxide

    Article • Journal of Molecular Spectroscopy, September 2024, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  5. A Network Approach for the Accurate Characterization of Water Lines Observable in Astronomical Masers and Extragalactic Environments

    Article • ACS Earth and Space Chemistry, August 2024, American Chemical Society (ACS)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  6. MARVEL analysis of high‐resolution rovibrational spectra of 16O12C18O

    Article • Journal of Computational Chemistry, July 2024, Wiley

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  7. Coupling polyatomic molecules to lossy nanocavities: Lindblad vs Schrödinger description

    Article • The Journal of Chemical Physics, June 2024, American Institute of Physics

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  8. Empirical rovibrational energy levels for nitrous oxide

    Article • Journal of Quantitative Spectroscopy and Radiative Transfer, April 2024, Elsevier

    Prof. Dr. Attila G. Csaszar

  9. Spectroscopic heat maps reveal how to design experiments to improve the uncertainties of transitions and energy levels present in line-by-line databases

    Article • Journal of Quantitative Spectroscopy and Radiative Transfer, March 2024, Elsevier

    Prof. Dr. Attila G. Csaszar

  10. All paths lead to hubs in the spectroscopic networks of water isotopologues H216O and H218O

    Article • Communications Chemistry, February 2024, Springer Science + Business Media

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  11. Verification labels for rovibronic quantum-state energy uncertainties

    Article • Scientific Reports, January 2024, Springer Science + Business Media

    Prof. Dr. Attila G. Csaszar

  12. MARVEL analysis of high‐resolution rovibrational spectra of  13C 16O 2

    Article • Journal of Computational Chemistry, January 2024, Wiley

    Prof. Dr. Attila G. Csaszar

  13. Unusual Dynamics and Vibrational Fingerprints of van der Waals Dimers Formed by Linear Molecules and Rare-Gas Atoms

    Article • Journal of Chemical Theory and Computation, November 2023, American Chemical Society (ACS)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  14. Quantum Chemical Investigation of the Cold Water Dimer Spectrum in the First OH-Stretching Overtone Region Provides a New Interpretation

    Article • The Journal of Physical Chemistry A, November 2023, American Chemical Society (ACS)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  15. Temperature‐Dependent Line‐Broadening Effects in CO2 Caused by Ar

    Article • ChemPhysChem, November 2023, Wiley

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  16. Joint survey of the experimental high-resolution spectra of H16O37Cl and H16O35Cl with a reanalysis of the 2<...

    Article • Journal of Molecular Spectroscopy, September 2023, Elsevier

    Prof. Dr. Attila G. Csaszar

  17. Quantum nuclear delocalization and its rovibrational fingerprints

    Article • Angewandte Chemie, August 2023, Wiley

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  18. On the 12C2H2 near-infrared spectrum: absolute transition frequencies and an improved spectroscopic network at the kHz accuracy level

    Article • Physical Chemistry Chemical Physics, January 2023, Royal Society of Chemistry

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  19. Kutatások a kvantumkémia negyedik korszakában

    Article • Magyar Kémiai Folyóirat, January 2023, Magyar Kemiai Folyoirat

    Prof. Dr. Attila G. Csaszar

  20. Quantum-Chemical and Quantum-Graph Models of the Dynamical Structure of CH5+

    Article • Journal of Chemical Theory and Computation, December 2022, American Chemical Society (ACS)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  21. Parity-pair-mixing effects in nonlinear spectroscopy of HDO

    Article • Optics Express, December 2022, Optical Society of America (OSA)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  22. Vibrational wave packet dynamics of H2O+ and H2O by strong-field Fourier transform spectroscopy

    Article • Chemical Physics Letters, October 2022, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  23. Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres

    Article • Icarus, May 2022, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  24. Reduced-dimensional vibrational models of the water dimer

    Article • The Journal of Chemical Physics, April 2022, American Institute of Physics

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  25. Ultraprecise relative energies in the (2 0 0) vibrational band of H216O

    Article • Molecular Physics, March 2022, Taylor & Francis

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  26. Normal-Mode Vibrational Analysis of Weakly Bound Oligomers at Constrained Stationary Points of Arbitrary Order

    Article • Journal of Chemical Theory and Computation, February 2022, American Chemical Society (ACS)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  27. A quantum‐chemical perspective on the laser‐induced alignment and orientation dynamics of the CH 3 X (X = F, Cl, Br, I) molecules

    Article • Journal of Computational Chemistry, January 2022, Wiley

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  28. The HITRAN2020 molecular spectroscopic database

    Article • Journal of Quantitative Spectroscopy and Radiative Transfer, January 2022, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar, Dr Semen N Mikhailenko

  29. Structure, energetics, and spectroscopy of the chromophores of HHe+n, H2He+n, and He+n clusters and their deuterated isotopologues

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  30. Analysis of measured high-resolution doublet rovibronic spectra and related line lists of 12CH and 16OH

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  31. Kváziszerkezetű molekulák dinamikája

    Article • Magyar Kémiai Folyóirat, January 2022, Magyar Kemiai Folyoirat

    Prof. Dr. Attila G. Csaszar

  32. MARVEL analysis of the high-resolution rovibrational spectra of H16O35Cl

    Article • Journal of Molecular Spectroscopy, December 2021, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  33. Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum states

    Article • Journal of Cheminformatics, September 2021, Springer Science + Business Media

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  34. autoECART: Automatic energy conservation analysis of rovibronic transitions

    Article • Journal of Quantitative Spectroscopy and Radiative Transfer, September 2021, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  35. Network-Based Design of Near-Infrared Lamb-Dip Experiments and the Determination of Pure Rotational Energies of H218O at kHz Accuracy

    Article • Journal of Physical and Chemical Reference Data, June 2021, American Institute of Physics

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  36. Understanding the structure of complicated multi-dimensional wave functions made easy

    Article • The Journal of Chemical Physics, April 2021, American Institute of Physics

    Jan Šmydke, Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  37. On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: Considerations of symmetry, accuracy, and simplicity. II. Case studies for H2O isotopologues, H3+, O3, and NH3

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, April 2021, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  38. Vibrational spectroscopy of H2He+ and D2He+

    Article • Journal of Molecular Spectroscopy, March 2021, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  39. Comment on “Wigner numbers” [J. Chem. Phys. 151, 244122 (2019)]

    Article • The Journal of Chemical Physics, February 2021, American Institute of Physics

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  40. An improved rovibrational linelist of formaldehyde, H212C16O

    Article • Journal of Quantitative Spectroscopy and Radiative Transfer, February 2021, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  41. Exactly solvable 1D model explains the low-energy vibrational level structure of protonated methane

    Article • Chemical Communications, January 2021, Royal Society of Chemistry

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  42. The rovibrational Aharonov–Bohm effect

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  43. The W2020 Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of Water Isotopologues. II. H217O and H218O with an Update to H2

    Article • Journal of Physical and Chemical Reference Data, December 2020, American Institute of Physics

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  44. From bridges to cycles in spectroscopic networks

    Article • Scientific Reports, November 2020, Springer Science + Business Media

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  45. W2020: A Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of H216O

    Article • Journal of Physical and Chemical Reference Data, September 2020, American Institute of Physics

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  46. Empirical rovibrational energy levels of ammonia up to 7500 cm−1

    Article • Journal of Quantitative Spectroscopy and Radiative Transfer, August 2020, Elsevier

    Prof. Dr. Attila G. Csaszar

  47. An update to the MARVEL data set and ExoMol line list for 12C2

    Article • Monthly Notices of the Royal Astronomical Society, July 2020, Oxford University Press (OUP)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  48. Spectroscopic-network-assisted precision spectroscopy and its application to water

    Article • Nature Communications, April 2020, Springer Science + Business Media

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  49. On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity

    Article • Scientific Reports, March 2020, Springer Science + Business Media

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  50. Rotational–vibrational resonance states

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  51. Spectroscopic signatures of HHe2+ and HHe3+

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  52. Light-Dressed Spectroscopy of Molecules

    Article • January 2020, Springer Science + Business Media

    Prof. Dr. Attila G. Csaszar

  53. Quasistructural molecules

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, July 2019, Wiley

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  54. MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra and Definitive Ideal-Gas Thermochemistry of the 16O2 Molecule

    Article • Journal of Physical and Chemical Reference Data, June 2019, American Institute of Physics

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  55. Controlling tunneling in ammonia isotopomers

    Article • The Journal of Chemical Physics, January 2019, American Institute of Physics

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  56. Promoting and inhibiting tunneling via nuclear motions

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  57. MARVEL analysis of the rotational–vibrational states of the molecular ions H2D+ and D2H+

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  58. Calibration-quality adiabatic potential energy surfaces for ${\rm H}_3^+$H3+ and its isotopologues

    Article • The Journal of Chemical Physics, May 2012, American Institute of Physics

    Prof. Dr. Attila G. Csaszar, Jonathan Tennyson, Dr Attila Geza Csaszar

  59. The role of axis embedding on rigid rotor decomposition analysis of variational rovibrational wave functions

    Article • The Journal of Chemical Physics, May 2012, American Institute of Physics

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  60. The fourth age of quantum chemistry: molecules in motion

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  61. Variational quantum mechanical and active database approaches to the rotational-vibrational spectroscopy of ketene, H2CCO

    Article • The Journal of Chemical Physics, September 2011, American Institute of Physics

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  62. Rotating full- and reduced-dimensional quantum chemical models of molecules

    Article • The Journal of Chemical Physics, February 2011, American Institute of Physics

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  63. On the efficiency of treating singularities in triatomic variational vibrational computations. The vibrational states of H+3 up to dissociation

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Prof. Dr. Attila G. Csaszar, Dr Attila Geza Csaszar

  64. Theoretical prediction of the vibrational spectrum geometry and scaled quantum mechanical force field for phenylacetylene

    Article • The Journal of Physical Chemistry B, November 1989, American Chemical Society (ACS)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  65. Theoretical prediction of vibrational and rotational spectra. Formyl cyanide, HCOCN, and thioformyl cyanide, HCSCN

    Article • Chemical Physics Letters, October 1989, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  66. The rotational spectrum of benzonitrile: Experimental and theoretical determination of the quartic centrifugal distortion constants

    Article • Journal of Molecular Spectroscopy, April 1989, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  67. Scaled quantum mechanical (SQM) force field and theoretical vibrational spectrum for benzonitrile

    Article • Spectrochimica Acta Part A Molecular Spectroscopy, January 1989, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  68. On the use of scaled quantum mechanical force fields for predicting quartic centrifugal distortion constants

    Article • The Journal of Chemical Physics, December 1988, American Institute of Physics

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  69. Theoretical force fields and vibrational spectra of 4H-pyran-4-one by CNDO/2 and MINDO/3 force methods

    Article • Journal of Molecular Structure THEOCHEM, May 1987, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  70. Gas-phase molecular structure of ethynylsulfur pentafluoride, F5SC.tplbond.CH, by electron diffraction

    Article • Inorganic Chemistry, March 1987, American Chemical Society (ACS)

    Prof. Dr. Attila G. Csaszar

  71. Gas-phase molecular structure of tetramethyldistibine Me2SbSbMe2

    Article • Organometallics, November 1986, American Chemical Society (ACS)

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  72. Equilibrium geometries of uracil and its C- and N-methylated derivatives

    Article • Journal of Molecular Structure THEOCHEM, May 1986, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  73. Interpretation of the vibrational spectra of matrix-isolated uracil from scaled ab initio quantum mechanical force fields

    Article • International Journal of Quantum Chemistry, April 1986, Wiley

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  74. Scaled quantum mechanical (SQM) ab initio force field and vibrational spectra of maleimide (1h-pyrrole-2,5-dione)

    Article • Journal of Molecular Structure THEOCHEM, April 1986, Elsevier

    Prof. Dr. Attila G. Csaszar

  75. Vibrational spectra, scaled quantum-mechanical (SQM) force field and assignments for 4H-pyran-4-one

    Article • Spectrochimica Acta Part A Molecular Spectroscopy, January 1986, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  76. Use of semiempirical methods for the prediction of equilibrium geometries and ionization potentials of 4h-pyran-4-one and sulphur analogues

    Article • Journal of Molecular Structure THEOCHEM, November 1985, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  77. On the dipole moments of fluorobenzenes by quantum chemical methods

    Article • Journal of Molecular Structure THEOCHEM, September 1984, Elsevier

    Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar

  78. Several Exact Results on Deterministic Exotic Kinetics

    Article • Zeitschrift für Physikalische Chemie, January 1983, De Gruyter

    Dr Laszlo Jicsinszky, Prof. Dr. Attila G. Csaszar

  79. Generation of model reactions leading to limit cycle behavior

    Article • Reaction Kinetics and Catalysis Letters, January 1982, Springer Science + Business Media

    Dr Laszlo Jicsinszky, Dr Attila Geza Csaszar, Prof. Dr. Attila G. Csaszar