2003

[84][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. [IF: 29.162][PDF(86 kb)][Citations]

[85][2]           E. Czinki and A. G. Császár, Conformers of Gaseous Proline, Chem. Eur. J. 2003, 9, 1008-1019. [IF: 4.353][PDF(243 kb)][Citations]

[86][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. [IF: 4.353][PDF(445 kb)][Citations]

[87][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. [IF: 2.792][PDF(52 kb)][Citations]

[88][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. [IF: 2.950][PDF(73 kb)][Citations]

[89][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. [IF: 4.353][PDF(382 kb)][Citations]

[90][7]           A. G. Császár, M. L. Leininger, and V. Szalay, The Enthalpy of Formation of CH2, J. Chem. Phys. 2003, 118, 10631-10642. [IF: 2.950][PDF(132 kb)][Citations]

[91][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.

[92][9]           A. Perczel, A. K. Füzéry, and A. G. Császár, Toward Direct Determination of Conformations of Protein Building Units from Multidimensional NMR Experiments V. A Theoretical Case Study of For‑L-Ser‑NH2, J. Comp. Chem. 2003, 24, 1157-1171. [IF: 3.186][PDF(356 kb)][Citations]

[93][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. [IF: 2.950][PDF(81 kb)][Citations]