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Journals in DBLP

Journal of Computational Chemistry
1997, volume: 18, number: 12

  1. Miroslav Kohout, Andreas Savin
    Influence of core-valence separation of electron localization function. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1431-1439 [Journal]
  2. Shun Zhou Wan, Cun Xin Wang, Zhe Xin Xiang, Yun Yu Shi
    Stochastic dynamics simulation of alanine dipeptide: Including solvation interaction determined by boundary element method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1440-1449 [Journal]
  3. Christian Bartels, Martin Karplus
    Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1450-1462 [Journal]
  4. Berk Hess, Henk Bekker, Herman J. C. Berendsen, Johannes G. E. M. Fraaije
    LINCS: A linear constraint solver for molecular simulations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1463-1472 [Journal]
  5. Frank Eckert, Peter Pulay, Hans-Joachim Werner
    Ab initio geometry optimization for large molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1473-1483 [Journal]
  6. Christian D. Berweger, Wilfred F. van Gunsteren, Florian Müller-Plathe
    Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1484-1495 [Journal]
  7. Peter L. Cummins, Jill E. Gready
    Coupled semiempirical molecular orbital and molecular mechanics model (QM/MM) for organic molecules in aqueous solution. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1496-1512 [Journal]
  8. Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter
    Treatment of multibody interactions in molecular simulations of systems with general bond networks. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1513-1522 [Journal]
  9. Soo Gyeong Cho, One Kwon Rim, Gyoosoon Park
    Rotational barriers of disilane, hexafluorodisilane, and hexamethyldisilane: Ab initio, density functional, and molecular mechanics (MM3) studies. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1523-1533 [Journal]
  10. Gábor I. Csonka, Nam Anh Nguyen, István Kolossváry
    Simple tests for density functional methods. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1534-1545 [Journal]
  11. Yuto Komeiji, Masami Uebayasi, Ryo Takata, Akihiro Shimizu, Keiji Itsukashi, Makoto Taiji
    Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:12, pp:1546-1563 [Journal]
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