[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
[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
[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
[4] A.
G. Császár, M. L. Leininger, and A. Burcat, The Enthalpy of Formation of X2P3/2 SH, J. Phys. Chem. A 2003, 107, 2061-2065. PDF
[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
[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
[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
[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
[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