Uncertainty estimates for theoretical atomic and molecular data von Chung, H-K, Braams, B J, Bartschat, K, Császár, A G, Drake, G W F, Kirchner, T, Kokoouline, V, Tennyson, J

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From bridges to cycles in spectroscopic networks von Árendás, P., Furtenbacher, T., Császár, A. G.

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Vibrational memory in quantum localized states von Ajili, Y., Trabelsi, T., Denis-Alpizar, O., Stoecklin, T., Császár, A. G., Mogren Al-Mogren, M., Francisco, J. S., Hochlaf, M.

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High-Accuracy ab Initio Rotation-Vibration Transitions for Water von Polyansky, Oleg L., Császár, Attila G., Shirin, Sergei V., Zobov, Nikolai F., Barletta, Paolo, Tennyson, Jonathan, Schwenke, David W., Knowles, Peter J.

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IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I von Ruscic, Branko, Boggs, James E., Burcat, Alexander, Császár, Attila G., Demaison, Jean, Janoschek, Rudolf, Martin, Jan M. L., Morton, Melita L., Rossi, Michel J., Stanton, John F., Szalay, Péter G., Westmoreland, Phillip R., Zabel, Friedhelm, Bérces, Tibor

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Equilibrium structure in the presence of internal rotation: A case study of cis-methyl formate von Demaison, J., Margulès, L., Kleiner, I., Császár, A.G.

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Conformers of gaseous glycine von Csaszar, Attila G

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Ab initio characterization of building units in peptides and proteins von Császár, Attila G., Perczel, András

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The Rotational Spectrum of Propene: Internal Rotation Analysis and ab Initio and Experimental Centrifugal Distortion Constants von Wlodarczak, G., Demaison, J., Heineking, N., Csaszar, A.G.

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Toward Direct Determination of Conformations of Protein Building Units from Multidimensional NMR Experiments Part II: A Theoretical Case Study of Formyl-L-Valine Amide von Perczel, András, Császár, Attila G.

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The puckering inversion barrier and vibrational spectrum of cyclopentene. A scaled quantum mechanical force field algorithm von Allen, Wesley D, Csaszar, Attila G, Horner, David A

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HEAT: High accuracy extrapolated ab initio thermochemistry von Tajti, Attila, Szalay, Péter G, Császár, Attila G, Kállay, Mihály, Gauss, Jürgen, Valeev, Edward F, Flowers, Bradley A, Vázquez, Juana, Stanton, John F

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On the use of scaled quantum mechanical force fields for predicting quartic centrifugal distortion constants von CSASZAR, A. G, FOGARASI, G

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The HITRAN2020 molecular spectroscopic database von Gordon, I.E., Rothman, L.S., Hargreaves, R.J., Hashemi, R., Karlovets, E.V., Skinner, F.M., Conway, E.K., Hill, C., Kochanov, R.V., Tan, Y., Wcisło, P., Finenko, A.A., Nelson, K., Bernath, P.F., Birk, M., Boudon, V., Campargue, A., Chance, K.V., Coustenis, A., Drouin, B.J., Flaud, J.–M., Gamache, R.R., Hodges, J.T., Jacquemart, D., Mlawer, E.J., Nikitin, A.V., Perevalov, V.I., Rotger, M., Tennyson, J., Toon, G.C., Tran, H., Tyuterev, V.G., Adkins, E.M., Baker, A., Barbe, A., Canè, E., Császár, A.G., Dudaryonok, A., Egorov, O., Fleisher, A.J., Fleurbaey, H., Foltynowicz, A., Furtenbacher, T., Harrison, J.J., Hartmann, J.–M., Horneman, V.–M., Huang, X., Karman, T., Karns, J., Kassi, S., Kleiner, I., Kofman, V., Kwabia–Tchana, F., Lavrentieva, N.N., Lee, T.J., Long, D.A., Lukashevskaya, A.A., Lyulin, O.M., Makhnev, V.Yu, Matt, W., Massie, S.T., Melosso, M., Mikhailenko, S.N., Mondelain, D., Müller, H.S.P., Naumenko, O.V., Perrin, A., Polyansky, O.L., Raddaoui, E., Raston, P.L., Reed, Z.D., Rey, M., Richard, C., Tóbiás, R., Sadiek, I., Schwenke, D.W., Starikova, E., Sung, K., Tamassia, F., Tashkun, S.A., Vander Auwera, J., Vasilenko, I.A., Vigasin, A.A., Villanueva, G.L., Vispoel, B., Wagner, G., Yachmenev, A., Yurchenko, S.N.

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A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules von Allen, Wesley D., Yamaguchi, Yukio, Császár, Attila G., Clabo, D.Allen, Remington, Richard B., Schaefer, Henry F.

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The HITRAN2016 molecular spectroscopic database von Gordon, I.E., Rothman, L.S., Hill, C., Kochanov, R.V., Tan, Y., Bernath, P.F., Birk, M., Boudon, V., Campargue, A., Chance, K.V., Drouin, B.J., Flaud, J.-M., Gamache, R.R., Hodges, J.T., Jacquemart, D., Perevalov, V.I., Perrin, A., Shine, K.P., Smith, M.-A.H., Tennyson, J., Toon, G.C., Tran, H., Tyuterev, V.G., Barbe, A., Császár, A.G., Devi, V.M., Furtenbacher, T., Harrison, J.J., Hartmann, J.-M., Jolly, A., Johnson, T.J., Karman, T., Kleiner, I., Kyuberis, A.A., Loos, J., Lyulin, O.M., Massie, S.T., Mikhailenko, S.N., Moazzen-Ahmadi, N., Müller, H.S.P., Naumenko, O.V., Nikitin, A.V., Polyansky, O.L., Rey, M., Rotger, M., Sharpe, S.W., Sung, K., Starikova, E., Tashkun, S.A., Auwera, J. Vander, Wagner, G., Wilzewski, J., Wcisło, P., Yu, S., Zak, E.J.

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Uncertainty Estimates for Theoretical Atomic and Molecular Data von H -K Chung, Braams, B J, Bartschat, K, Csaszar, A G, Drake, G W F, Kirchner, T, Kokoouline, V, Tennyson, J

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The rotational spectrum of benzonitrile: Experimental and theoretical determination of the quartic centrifugal distortion constants von Wlodarczak, G., Burie, J., Demaison, J., Vormann, K., Császár, A.G.

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On equilibrium structures of the water molecule von Császár, Attila G, Czakó, Gábor, Furtenbacher, Tibor, Tennyson, Jonathan, Szalay, Viktor, Shirin, Sergei V, Zobov, Nikolai F, Polyansky, Oleg L

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In pursuit of the ab initio limit for conformational energy prototypes von Császár, Attila G., Allen, Wesley D., Schaefer, Henry F.

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