2022

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, S. N. Yurchenko, The HITRAN2020 Molecular Spectroscopic Database, J. Quant. Spectr. Rad. Transf. 2022, 277, 107949. PDF

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. PDF

2021

A. Al-Derzi, J. Tennyson, S. Yurchenko, M. Melosso, N. Jiang, C. Puzzarini, L. Dore, T. Furtenbacher, R. Tóbiás, and A. G. Császár, An Improved Rovibrational Line List of Formaldehyde, H212C16O, J. Quant. Spectrosc. Rad. Transf. 2021, 266, 107563. PDF

P. Árendás, T. Furtenbacher, and A. G. Császár, Selecting Lines for Spectroscopic (Re)measurements to Improve the Accuracy of Absolute Energies of Rovibronic Quantum States, J. Cheminform. 2021, 13, 67. PDF

2020

R. Tóbiás, T. Furtenbacher, I. Simkó, A. G. Császár, M. L. Diouf, F. M. J. Cozijn, J. M. A. Staa, E. J. Salumbides, and W. Ubachs, Spectroscopic-Network-Assisted Precision Spectroscopy and its Application to Water, Nat. Commun. 2020, 11, 1708. PDF

T. Furtenbacher, P. A. Coles, J. Tennyson, S. N. Yurchenko, S. Yu, B. Drouin, R. Tóbiás, and A. G. Császár, Empirical Rovibrational Energy Levels of Ammonia up to 7500 cm-1, J. Quant. Spectrosc. Rad. Transfer 2020, 251, 107027. PDF

T. Furtenbacher, R. Tóbiás, J. Tennyson, O. L. Polyansky, and A. G. Császár, W2020: A Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of H216O, J. Phys. Chem. Ref. Data 2020, 49, 033101. PDF

L. K. McKemmish, A.-M. Syme, J. Borsovszky, S. N. Yurchenko, J. Tennyson, T. Furtenbacher, and A. G. Császár, An Update to the MARVEL Dataset and ExoMol Line List for 12C2, Mon. Not. R. Astron. Soc. 2020, 497, 1081-1097. PDF

P. Árendás, T. Furtenbacher, and A. G. Császár, From Bridges to Cycles in Spectroscopic Networks, Sci. Rep. 2020, 10, 19489. PDF

T. Furtenbacher, R. Tóbiás, J. Tennyson, O. L. Polyansky, A. A. Kyuberis, R. I. Ovsyannikov, N. F. Zobov, and A. G. Császár, The W2020 Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of Water Isotopologues. Part II. H217O and H218O with an Update to H216O, J. Phys. Chem. Ref. Data 2020, 49, 043103. PDF

2019

R. Tóbiás, T. Furtenbacher, J. Tennyson, and A. G. Császár, Accurate Empirical Rovibrational Energies and Transitions of H216O, Phys. Chem. Chem. Phys. (Challenges in spectroscopy: Accuracy versus interpretation from isolated molecules to condensed phases Themed Issue) 2019, 21, 3473-3495. PDF

T. Furtenbacher, M. Horváth, D. Koller, P. Sólyom, A. Balogh, I. Balogh, and A. G. Császár, MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra and Definitive Ideal-Gas Thermochemistry of the 16O2 Molecule, J. Phys. Chem. Ref. Data 2019, 48, 023101. PDF

D. Darby-Lewis, H. Shah, D. Joshi, F. Kahn, M. Kauwo, N. Sethi, P. F. Bernath, T. Furtenbacher, R. Tóbiás, A. G. Császár, and J. Tennyson, MARVEL Analysis of the Measured High-Resolution Spectra of 14NH, J. Mol. Spectrosc. 2019, 362, 69-76. PDF

2018

K. L. Chubb, M. Joseph, J. Franklin, N. Choudhury, T. Furtenbacher, A. G. Császár, G. Gaspard, P. Aguoko, A. Kelly, S. N. Yurchenko, J. Tennyson, and C. Sousa-Silva, MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra of C2H2, J. Quant. Spectrosc. Rad. Transfer 2018, 204, 42-55. PDF

E. Czinki, T. Furtenbacher, A. G. Császár, A. K. Eckhardt, and G. Ch. Mellau, The 1943 K Emission Spectrum of H216O Between 6600 and 7050 cm-1, J. Quant. Spectrosc. Rad. Transfer 2018, 206, 46-54. PDF

K. L. Chubb, O. Naumenko, S. Keely, S. Bartolotto, S. Macdonald, M. Mukhtar, A. Grachov, J. White, E. Coleman, A. Liu, A. Z. Fazliev, E. R. Polovtseva, V.-M. Horneman, A. Campargue, T. Furtenbacher, A. G. Császár, S. N. Yurchenko, and J. Tennyson, MARVEL Analysis of the Measured High-Resolution Rovibrational Spectra of H232S, J. Quant. Spectrosc. Rad. Transfer 2018, 218, 178-186. PDF

L. K. McKemmish, J. Borsovszky, K. L. Goodhew, S. Sheppard, A. F. V. Bennett, A. D. J. Martin, A. Singh, C. A. J. Sturgeon, T. Furtenbacher, A. G. Császár, J. Tennyson, MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra of 90Zr16O, Astrophys. J. 2018, 867, 33. PDF

2017

L. K. McKemmish, T. Masseron, S. Sheppard, E. Sandeman, Z. Schofield, T. Furtenbacher, A. G. Császár, J. Tennyson, and C. Sousa-Silva, MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra of 48Ti16O, Astrophys. J. Suppl. 2017, 228, 15. PDF

I. Simkó, T. Furtenbacher, J. Hruby, N. F. Zobov, O. L. Polyansky, J. Tennyson, R. R. Gamache, T. Szidarovszky, N. Dénes, and A. G. Császár, Recommended Ideal-Gas Thermochemical Functions for Heavy Water and Its Substituent Isotopologues, J. Phys. Chem. Ref. Data 2017, 46, 023104. PDF

R. Tóbiás, T. Furtenbacher, and A. G. Császár, Cycle Bases to the Rescue, J. Quant. Spectrosc. Rad. Transfer 2017, 203, 557-564. PDF

I. E. Gordon, L. S. Rothman, C. Hill, R. V. Kochanov, Y. Tan, P. F. Bernath, M. Birk, V. Boudon, A. Campargue, K. V. Chance, B. J. Drouin, J.-M. Flaud, R. R. Gamache, D. Jacquemart, V. I. Perevalov, A. Perrin, M.-A. H. Smith, J. Tennyson, H. Tran, V. G. Tyuterev, G. C. Toon, J. T. Hodges, K. P. Shine, A. Barbe, A. G. Császár, M. V. Devi, T. Furtenbacher, J. J. Harrison, A. Jolly, T. Johnson, T. Karman, I. Kleiner, A. Kyuberis, J. Loos, O. Lyulin, S. N. Mikhailenko, N. Moazzen-Ahmadi, H. S. P. Müller, O. Naumenko, A. Nikitin, O. L. Polyansky, M. Rey, M. Rotger, S. Sharpe, K. Sung, E. Starikova, S. A. Tashkun, J. Vander Auwera, G. Wagner, J. Wilzewski, P. Wcislo, S. Yu, and E. Zak, The HITRAN2016 Molecular Spectroscopic Database, J. Quant. Spectrosc. Rad. Trans. 2017, 203, 3-69. PDF

R. R. Gamache, C. Roller, E. Lopes, I. E. Gordon, L. S. Rothman, O. L. Polyansky, N. F. Zobov, A. A. Kyuberis, J. Tennyson, A. G. Császár, T. Furtenbacher, X. Huang, D. W. Schwenke, T. J. Lee, B. J. Drouin, S. A. Tashkun, V. I. Perevalov, and R. V. Kochanov, Total Internal Partition Sums for 166 Isotopologues of 51 Molecules Important in Planetary Atmospheres: Application to HITRAN2016 and Beyond, J. Quant. Spectrosc. Rad. Trans. 2017, 203, 70-87. PDF

2016

A. G. Császár and T. Furtenbacher,
Promoting and Inhibiting Tunneling via Nuclear Motions, Phys. Chem. Chem. Phys. 2016, 18, 1092-1104. PDF

T. Furtenbacher, I. Szabó, A. G. Császár, P. F. Bernath, S. N. Yurchenko, and J. Tennyson,
Experimental Energy Levels and the Related High-Temperature Partition Function of the 12C2 Molecule, Astrophys. J. Suppl. 2016, 224, 44. PDF

P. Árendás, T. Furtenbacher, and A. G. Császár,
On Spectra of Spectra, J. Math. Chem. 2016, 54, 806-822. PDF

A. G. Császár, T. Furtenbacher, and P. Árendás,
Small Molecules – Big Data, J. Phys. Chem. A 2016, 120, in press DOI

T. Furtenbacher, T. Szidarovszky, J. Hruby, A. A. Kyuberis, N. F. Zobov, O. L. Polyansky, J. Tennyson, and A. G. Császár,
Definitive Ideal-Gas Thermochemical Functions of the H216O Molecule, J. Phys. Chem. Ref. Data 2016, 45, 043104. PDF

2015

A. R. Al Derzi, T. Furtenbacher, J. Tennyson, S. N. Yurchenko, and A. G. Császár,
MARVEL Analysis of the Measured High-Resolution Spectra of 14NH3, J. Quant. Spectrosc. Rad. Transfer 2015, 116, 117-130. PDF

A. G. Császár, T. Furtenbacher,
Zero-Cost Estimation of Zero-Point Energies, J. Phys. Chem. A 2015, 119, 10229-10240, PDF

2014

T. Furtenbacher, P. Árendás, G. Mellau, and A. G. Császár,
Simple Molecules as Complex Systems, Sci. Rep. 2014, 4, 4654.   PDF

J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, A. G. Császár, L. Daumont, R. R. Gamache, J. T. Hodges, O. V. Naumenko, O. L. Polyansky, L. S. Rothman, A. C. Vandaele, N. F. Zobov, N. Dénes, A. Z. Fazliev, T. Furtenbacher, I. E. Gordon, S.-M. Hu, T. Szidarovszky, and I. A. Vasilenko,
IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part IV. Energy Levels and Transition Wavenumbers for D216O, D217O, and D218O, J. Quant. Spectr. Rad. Transfer 2014, 142, 93-108.   PDF

C. Fábri, T. Furtenbacher, and A. G. Császár,,
A hybrid variational-perturbational nuclear motion algorithm, Mol. Phys. 2014, 118(18), 2462-2467.   PDF

2013

J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, A. G. Császár, L. Daumont, R. R. Gamache, J. T. Hodges, O. V. Naumenko, O. L. Polyansky, L. S. Rothman, A. C. Vandaele, N. F. Zobov, A. R. Al Derzi, C. Fábri, A. Z. Fazliev, T. Furtenbacher, I. E. Gordon, L. Lodi, and I. I. Mizus,
IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part III. Energy Levels and Transition Wavenumbers for H216O, J. Quant. Spectr. Rad. Transfer 2013, 117, 29-58.   PDF

T. Furtenbacher, T. Szidarovszky, C. Fábri, and A. G. Császár,
MARVEL Analysis of the Rotational-Vibrational States of the Molecular Ions H2D+ and D2H+, Phys. Chem. Chem. Phys. (Themed Issue on Spectroscopy and Dynamics of Medium-Sized Molecules and Clusters) 2013, 15, 10181-10193.   PDF

T. Furtenbacher, T. Szidarovszky, E. Mátyus, C. Fábri, and A. G. Császár,
Analysis of the Rotational-Vibrational States of the Molecular Ion H3+, J. Chem. Theory Comput. 2013, 9, 5471-5478.   PDF

2012

A. G. Császár, C. Fábri, T. Szidarovszky, E. Mátyus, T. Furtenbacher, and G. Czakó,
Fourth Age of Quantum Chemistry: Molecules in Motion, Phys. Chem. Chem. Phys. 2012, 14(3), 1085-1106.   PDF

T. Furtenbacher and A. G. Császár,
The role of intensities in determining characteristics of spectroscopic networks, J. Mol. Struct. (Boris Galabov Special Issue) 2012, 1009, 123-129.   PDF

T. Furtenbacher and A. G. Császár,
MARVEL: Measured Active Rotational-Vibrational Energy Levels. II. Algorithmic Improvements, J. Quant. Spectr. Rad. Transfer (Flaud, Camy-Peyret, Barbe Special Issue) 2012, 113, 929-935.  PDF

A. G. Császár, G. Czakó, T. Furtenbacher, E. Mátyus, C. Fábri, T. Szidarovszky, I. Szabó, and J. Sarka,
Molecular Structure and Dynamics, Magy. Kém. Foly. 2012, 118(2-4), 181-189 (in Hungarian).  PDF

2011

A. G. Császár and T. Furtenbacher,
Spectroscopic Networks, J. Mol. Spectrosc. 2011, 266, 99-103.     PDF

C. Fábri, E. Mátyus, T. Furtenbacher, B. Mihály, T. Zoltáni, L. Nemes, and A. G. Császár,
Variational Quantum Mechanical and Active Database Approaches to the Rotational-Vibrational Spectroscopy of Ketene, J. Chem. Phys. 2011, 135, 094307.     PDF

2010

A. G. Császár and T. Furtenbacher,
From a Network of Computed Reaction Enthalpies to Atom-Based Thermochemistry (NEAT), Chem. Eur. J. 2010, 16(16), 4826-4835.     PDF

J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, A. G. Császár, L. Daumont, R. R. Gamache, J. T. Hodges, O. V. Naumenko, O. L. Polyansky, L. S. Rothman, R. A. Toth, A. C. Vandaele, N. F. Zobov, S. Fally, A. Z. Fazliev, T. Furtenbacher, I. F. Gordon, S.-M. Hu, S. N. Mikhailenko, and B. Voronin,
IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part II. Energy Levels and Transition Wavenumbers for HD16O, HD17O, and HD18O, J. Quant. Spectr. Rad. Transfer 2010, 111, 2160-2184.     PDF

2009

J. Tennyson, P. F. Bernath, L. R. Brown, A. Campargue, M. R. Carleer, A. G. Császár, R. R. Gamache, J. T. Hodges, A. Jenouvrier, O. V. Naumenko, O. L. Polyansky, L. S. Rothman, R. A. Toth, A. C. Vandaele, N. F. Zobov, L. Daumont, A. Z. Fazliev, T. Furtenbacher, I. F. Gordon, S. N. Mikhailenko, and S. V. Shirin,
IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part I. Energy Levels and Transition Wavenumbers for H217O and H218O, J. Quant. Spectr. Rad. Transfer 2009, 110, 573-596.     PDF

2008

T. Furtenbacher and A. G. Császár,
On Employing H216O, H217O, H218O, and D216O Lines as Frequency Standards in the 15-170 cm-1 Window, J. Quant. Spectrosc. Rad. Transfer 2008, 109, 1234-1251.     PDF

2007

G. Czakó, T. Furtenbacher, P. Barletta, A. G. Császár, V. Szalay, and B. T. Sutcliffe,
Use of a Nondirect-Product Basis for Treating Singularities in Triatomic Rotational-Vibrational Calculations, Phys. Chem. Chem. Phys. 2007, 9, 3407-3415.     PDF

T. Furtenbacher, A. G. Császár, and J. Tennyson,
MARVEL: Measured Active Rotational-Vibrational Energy Levels, J. Mol. Spectry. 2007, 245, 115-125.     PDF

A. G. Császár, G. Czakó, T. Furtenbacher, and E. Mátyus,
An Active Database Approach to Complete Spectra of Small Molecules, Ann. Rep. Comp. Chem.. 2007, 3, 155-176.

2006

T. Furtenbacher, G. Czakó, B. T. Sutcliffe, A. G. Császár, and V. Szalay,
The Methylene Saga Continues: Stretching Fundamentals and Zero-Point Energy of X3B1 CH2, J. Mol. Struct. (J. Demaison Special Issue) 2006, 780-781, 283-294.     PDF

A. G. Császár, T. Furtenbacher, and G. Czakó,
The Greenhouse Effect on Earth and the Complete Spectroscopy of Water, Magy. Kém. Foly. 2006, 112, 123-128 (in Hungarian).     PDF

2005

G. Czakó, V. Szalay, A. G. Császár, and T. Furtenbacher,
Treating Singularities Present in the Sutcliffe-Tennyson Vibrational Hamiltonian in Orthogonal Internal Coordinates, J. Chem. Phys. 2005, 122, 024101.[     PDF

A. G. Császár, G. Czakó, T. Furtenbacher, J. Tennyson, V. Szalay, S. V. Shirin, N. F. Zobov, and O. L. Polyansky,
On Equilibrium Structures of the Water Molecule, J. Chem. Phys. 2005, 122, 214305.[     PDF

2004

G. Czakó, T. Furtenbacher, A. G. Császár, and V. Szalay,
Variational Vibrational Calculations Using High-Order Anharmonic Force Fields, Mol. Phys. (Nicholas C. Handy Special Issue) 2004, 102, 2411-2423.     PDF

2003

V. Szalay, G. Czakó, A. Nagy, T. Furtenbacher, and A. G. Császár,
On One-Dimensional Discrete Variable Representations with General Basis Functions, J. Chem. Phys. 2003, 119, 10512-10518.     PDF