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Journals in DBLP

Journal of Computational Chemistry
2004, volume: 25, number: 12

  1. Yun Xiang, Da W. Zhang, John Z. H. Zhang
    Fully quantum mechanical energy optimization for protein-ligand structure. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1431-1437 [Journal]
  2. Jörg-Rüdiger Hill, Johann Plank
    Retardation of setting of plaster of Paris by organic acids: Understanding the mechanism through molecular modeling. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1438-1448 [Journal]
  3. Hui Li, Jan H. Jensen
    Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: New energy gradients and molecular surface tessellation. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1449-1462 [Journal]
  4. Stefan Grimme
    Accurate description of van der Waals complexes by density functional theory including empirical corrections. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1463-1473 [Journal]
  5. Tim N. Heinz, Philippe H. Hünenberger
    A fast pairlist-construction algorithm for molecular simulations under periodic boundary conditions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1474-1486 [Journal]
  6. Daiqian Xie, Jun Zeng
    Hydrogen bonding and solvatochromatic shift of the lowest 1(n, *) excitation of s-tetrazine in its hydrated clusters and dilute solutions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1487-1495 [Journal]
  7. Bahram Hemmateenejad, Mohammad A. Safarpour, Ramin Miri, Fariba Taghavi
    Application of ab initio theory to QSAR study of 1, 4-dihydropyridine-based calcium channel blockers using GA-MLR and PC-GA-ANN procedures. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1495-1503 [Journal]
  8. Sandeep Patel, Alexander D. MacKerell Jr., Charles L. Brooks III
    CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1504-1514 [Journal]
  9. Leslaw K. Bieniasz
    A fourth-order accurate, Numerov-type, three-point finite-difference discretization of electrochemical reaction-diffusion equations on nonuniform (exponentially expanding) spatial grids in one-dimensional space geometry. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1515-1521 [Journal]
  10. Ilona Hudáky, Péter Hudáky, András Perczel
    Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1522-1531 [Journal]
  11. Christian Silvio Pomelli
    A tessellationless integration grid for the polarizable continuum model reaction field. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1532-1541 [Journal]
  12. Xavier López, Jorge A. Fernández, Susanna Romo, Jean François Paul, Leonid Kazansky, Josep M. Poblet
    Are the solvent effects critical in the modeling of polyoxoanions? [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:12, pp:1542-1549 [Journal]
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