[1]      G. Czakó, A. G. Császár, V. Szalay, and B. T. Sutcliffe, Adiabatic Jacobi Corrections for H2+-Like Systems, J. Chem. Phys. 2007, 126, 024102. https://doi.org/10.1063/1.2406068 [PDF (168kB)]

[2]      E. Czinki, A. G. Császár, G. Magyarfalvi, P. R. Schreiner, and W. D. Allen, Secondary Structures of Peptides and Proteins via NMR Chemical Shielding Anisotropy (CSA) Parameters, J. Am. Chem. Soc. 2007, 129, 1568-1577. https://doi.org/10.1021/ja065461k [PDF (489kB)]

[3]      G. Tasi and A. G. Császár, Hartree-Fock-Limit Energies and Structures with a Few Dozen Distributed Gaussians, Chem. Phys. Lett. 2007, 438, 139-143. https://doi.org/10.1016/j.cplett.2007.02.056 [PDF (310 kB)]

[4]      J. Demaison, A. G. Császár, I. Kleiner, and H. Mřllendal, Equilibrium vs. Ground-State Planarity of the CONH Linkage, J. Phys. Chem. A 2007, 111, 2574-2586. https://doi.org/10.1021/jp067278j [PDF (133 kB)]

[5]      V. Kasalová, W. D. Allen, H. F. Schaefer III, E. Czinki, and A. G. Császár, Molecular Structures of the Two Most Stable Conformers of Glycine, J. Comp. Chem. 2007, 28, 1373-1383. https://doi.org/10.1002/jcc.20680 [PDF (169 kB)]

[6]      I. Solt, I. Simon, A. G. Császár, and M. Fuxreiter, Electrostatic versus Nonelectrostatic Effect in DNA Sequence Discrimination by Divalent Ions Mg2+ and Mn2+, J. Phys. Chem. B 2007, 111, 6272-6279. https://doi.org/10.1021/jp0668192 [PDF (86 kB)]

[7]      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. https://doi.org/10.1039/B701911D [PDF (672 kB)]

[8]      E. Czinki and A. G. Császár, Empirical Isotropic Chemical Shift Surfaces, J. Biomol. NMR 2007, 38, 269-287. https://doi.org/10.1007/s10858-007-9161-y [PDF(1122kB)]

[9]      E. Mátyus, G. Czakó, B. T. Sutcliffe, and A. G. Császár, Vibrational Energy Levels with Arbitrary Potentials using the Eckart-Watson Hamiltonians and the Discrete Variable Representation, J. Chem. Phys. 2007, 127, 084102. https://doi.org/10.1063/1.2756518 [PDF (235 kB)]

[10]    T. Furtenbacher, A. G. Császár, and J. Tennyson, MARVEL: Measured Active Rotational-Vibrational Energy Levels, J. Mol. Spectrosc. 2007, 245, 115-125. http://dx.doi.org/10.1016/j.jms.2007.07.005 [PDF (188 kB)]

[11]    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. https://doi.org/10.1016/S1574-1400(07)03009-5 [PDF (214 kB)]

[12]    S. Kárpáti, R. Szalay, A. G. Császár, K. Süvegh, and S. Nagy, Influence of Intermolecular Interactions on the Mössbauer Quadruple Splitting of Organotin(IV) Compounds as Studied by DFT Calculations, J. Phys. Chem. A 2007, 111, 13172-13181. https://doi.org/10.1021/jp075628b [PDF (249 kB]