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Journals in DBLP

Journal of Computational Chemistry
2004, volume: 25, number: 5

  1. Martin Saunders
    Stochastic search for isomers on a quantum mechanical surface. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:621-626 [Journal]
  2. Richard I. Maurer, Christopher A. Reynolds
    A multilayered approach to approximating solute polarization. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:627-631 [Journal]
  3. Zheng Yuan, John S. Mattick, Rohan D. Teasdale
    SVMtm: Support vector machines to predict transmembrane segments. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:632-636 [Journal]
  4. John Cullen
    Performance of the Harris functional for extended basis sets at the Hartree-Fock and density functional levels. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:637-648 [Journal]
  5. Siân T. Howard, Colin D. Abernethy
    Intramolecular CHCcarbene hydrogen bonds and competing interactions in monoprotonated tripodal carbenes. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:649-659 [Journal]
  6. Ali Khalaf Al-Matar, David A. Rockstraw
    A generating equation for mixing rules and two new mixing rules for interatomic potential energy parameters. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:660-668 [Journal]
  7. Fan Wang, Lemin Li
    Numerical examination of performance of some exchange-correlation functionals for molecules containing heavy elements. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:669-677 [Journal]
  8. Michael Patra, Mikko Karttunen
    Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: Diffusion, free energy of hydration, and structural properties. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:678-689 [Journal]
  9. Bülent Balta, Viktorya Aviyente
    Solvent effects on glycine II. Water-assisted tautomerization. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:690-703 [Journal]
  10. Piotr Zarzycki, Robert Charmas, Pawe Szabelski
    Study of proton adsorption at heterogeneous oxide/electrolyte interface. Prediction of the surface potential using Monte Carlo simulations and 1-pK approach. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:704-711 [Journal]
  11. Eran Eyal, Rafael Najmanovich, Brendan J. McConkey, Marvin Edelman, Vladimir Sobolev
    Importance of solvent accessibility and contact surfaces in modeling side-chain conformations in proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:712-724 [Journal]
  12. Paul Winget, Timothy Clark
    Enthalpies of formation from B3LYP calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:725-733 [Journal]
  13. D. B. Chesnut, L. D. Quin
    Nature of bonding in the sulfuryl group. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:734-738 [Journal]
  14. Kazuhiro Ishida
    Accurate and fast algorithm of the molecular incomplete gamma function with a complex argument. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:739-748 [Journal]
  15. Harry A. Stern
    Simple algorithm for isothermal-isobaric molecular dynamics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:749-761 [Journal]
  16. M. Michael Gromiha, Shandar Ahmad, Makiko Suwa
    Neural network-based prediction of transmembrane -strand segments in outer membrane proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:762-767 [Journal]
  17. M. K. Shukla, Jerzy Leszczynski
    TDDFT investigation on nucleic acid bases: Comparison with experiments and standard approach. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:5, pp:768-778 [Journal]
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