[1] O. L. Polyansky, A. G. Császár, S. V. Shirin, N. F. Zobov, P. Barletta, J. Tennyson, D. W. Schwenke, and P. J. Knowles, High-Accuracy Ab Initio Rotation-Vibration Transitions for Water, Science 2003, 299, 539-542. https://doi.org/10.1126/science.1079558 [PDF (86 kb)]

[2] E. Czinki and A. G. Császár, Conformers of Gaseous Proline, Chem. Eur. J. 2003, 9, 1008-1019. https://doi.org/10.1002/chem.200390103 [PDF (243 kb)]

[3] E. Czinki, A. G. Császár, and A. Perczel, A Theoretical Case Study of Type I and Type II b‑turns, Chem. Eur. J. 2003, 9, 1182-1191. https://doi.org/10.1002/chem.200390135 [PDF (445 kb)]

[4] A. G. Császár, M. L. Leininger, and A. Burcat, The Enthalpy of Formation of X²P_3/2 SH, J. Phys. Chem. A 2003, 107, 2061-2065. [PDF (52 kb)]

[5] V. Szalay, A. G. Császár, J. Ortigoso, and J. Santos, Rho-Axis-System Hamiltonian for Molecules with One Large Amplitude Internal Motion, J. Chem. Phys. 2003, 118, 6801-6805. https://doi.org/10.1063/1.1560634 [PDF (73 kb)]

[6] J. M. Gonzales, C. Pak, R. S. Cox, W. D. Allen, H. F. Schaefer III, A. G. Császár, and G. Tarczay, Definitive Ab Initio Studies of Model SN₂ Reactions CH₃X + F^– (X = F, Cl, CN, OH, SH, NH₂, PH₂), Chem. Eur. J. 2003, 9, 2173-2192. https://doi.org/10.1002/chem.200204408 [PDF (382 kb)]

[7] A. G. Császár, M. L. Leininger, and V. Szalay, The Standard Enthalpy of Formation of CH₂, J. Chem. Phys. 2003, 118, 10631-10642. https://doi.org/10.1063/1.1573180 [PDF (132 kb)]

[8] A. G. Császár, Ground-State Potential Energy Surfaces at the Focal Point, in High Accuracy Potentials for Quantum Dynamics, eds. A. Miani, J. Tennyson, and T. van Mourik, CCP1/CCP6/ChemReact: London, pp. 1-7, 2003.

[9] A. Perczel, A. K. Füzéry, and A. G. Császár, Toward Direct Determination of Conformations of Protein Building Units from Multidimensional NMR Experiments V. NMR Chemical Shielding Analysis of N-Formyl‑ Serinamide, a Model for Polar Side-Chain Containing Peptides, J. Comp. Chem. 2003, 24, 1157-1171. https://doi.org/10.1002/jcc.10286 [PDF (356 kb)]

[10] 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. https://doi.org/10.1063/1.1621619 [PDF (81 kb)]