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Journals in DBLP

Journal of Computational Chemistry
1999, volume: 20, number: 12

  1. Werner Kutzelnigg
    Relativistic corrections to magnetic properties. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1199-1219 [Journal]
  2. Serguei Patchkovskii, Walter Thiel
    NMR chemical shifts in MNDO approximation: Parameters and results for H, C, N, and O. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1220-1245 [Journal]
  3. Hubert Ebert, M. Battocletti, M. Deng, Harald Freyer, J. Voitländer
    Fully relativistic description of static magnetic hyperfine interaction in magnetic and nonmagnetic solids. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1246-1253 [Journal]
  4. Michael Bühl
    Theoretical study of a vanadate peptide complex. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1254-1261 [Journal]
  5. Lucas Visscher, Thomas Enevoldsen, Trond Saue, Hans Jorgen Aagard Jensen, Jens Oddershede
    Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1262-1273 [Journal]
  6. Shashi P. Karna
    Ab initio coupled Hartree-Fock study of the Bloembergen effect on paramagnetic systems: SiH3 radical. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1274-1280 [Journal]
  7. Kurt V. Mikkelsen, Kenneth Ruud, Trygve Helgaker
    Solvent effects on the NMR parameters of H2S and HCN. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1281-1291 [Journal]
  8. Patrick J. O'malley
    Hybrid density functional studies of a bacteriopheophytin a model and its anion radical form: Geometry, spin densities, and hyperfine couplings. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1292-1298 [Journal]
  9. Kenneth B. Wiberg
    Comparison of density functional theory models' ability to reproduce experimental 13C-NMR shielding values. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1299-1303 [Journal]
  10. Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin
    The role of -type nonbonding orbitals for spin-orbit induced NMR chemical shifts: DFT study of 13C and 19F shifts in the series CF3IFn (n=0, 2, 4, 6). [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1304-1313 [Journal]
  11. Juha Vaara, Kenneth Ruud, Olav Vahtras
    Correlated response calculations of the spin-orbit interaction contribution to nuclear spin-spin couplings. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1314-1327 [Journal]
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