1986

[6][1]        P. Császár, A. Császár, L. Harsányi, and J. E. Boggs, Scaled Quantum Mechanical (SQM) Ab Initio Force Field and Vibrational Spectra of Maleimide (1H-Pyrrole-2,5-dione), J. Mol. Struct. (THEOCHEM), 1986, 136, 323-337.[PDF(678 kB)][Citations]

[7][2]        A. Császár and P. Császár, Accelerating Problems of Semiempirical Quantum Chemical Calculations, Magy. Kém. Lapja, 1986, 41, 109-115 (in Hungarian).

[8][3]        P. Császár, A. Császár, Á. Somogyi, Z. Dinya, S. Holly, M. Gál, and J. E. Boggs, Vibrational Spectra, Scaled Quantum Mechanical (SQM) Force Field and Assignments for 4H-Pyran-4-one, Spectrochim. Acta, 1986, 42A, 473-486.[PDF(724 kB)][Citations]

[9][4]        L. Harsányi, P. Császár, A. Császár, and J. E. Boggs, Interpretation of the Vibrational Spectra of Matrix-isolated Uracil from Scaled Ab Initio Quantum Mechanical Force Fields, Int. J. Quant. Chem., 1986, 29, 799-815.[Citations]

[10][5]        L. Harsányi, A. Császár, and P. Császár, Equilibrium Geometries of Uracil and its C– and N–methylated Derivatives, J. Mol. Struct. (THEOCHEM), 1986, 137, 207-215.[PDF(544 kB)][Citations]

[11][6]        A. G. Császár, L. Hedberg, K. Hedberg, E. G. Ludwig, Jr., and A. J. Ashe III, Gas-Phase Molecular Structure of Tetramethyldistibine, (CH3)2Sb–Sb(CH3)2, Organometallics, 1986, 5, 2257-2259.[PDF(379 kB)][Citations]

[12][7]        A. Császár and P. Császár, Calculation of Fundamental Vibrational Frequencies by the MINDO/3 Semiempirical Quantum Chemical Method, Magy. Kém. Közl., 1986, 66, 171-177 (in Hungarian).

[13][8]        L. Harsányi, E. Vajda, Gy. Ferenczy, B. Rozsondai, P. Császár, and A. Császár, Determination of the Molecular Structure of Maleimide and Uracil Obtained by Gas Electron Diffraction Experiments and by Semiempirical and Ab Initio Quantum Chemical Calculations, Magy. Kém. Közl., 1986, 66, 277-290 (in Hungarian).