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Journals in DBLP

Journal of Computational Chemistry
2006, volume: 27, number: 14

  1. Azuma Matsuura, Hiroyuki Sato, Hirohiko Houjou, Shino Saito, Tomohiko Hayashi, Minoru Sakurai
    Accurate evaluation of the absorption maxima of retinal proteins based on a hybrid QM/MM method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1623-1630 [Journal]
  2. Peter C. Anderson, Sandro Mecozzi
    Minimum sequence requirements for selective RNA-ligand binding: A molecular mechanics algorithm using molecular dynamics and free-energy techniques. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1631-1640 [Journal]
  3. Luis Fernández Pacios
    Computational study of the process of hydrogen bond breaking: The case of the formamide-formic acid complex. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1641-1649 [Journal]
  4. Luis Fernández Pacios, Pedro C. Gómez, Oscar Gálvez
    Variation of atomic charges on proton transfer in strong hydrogen bonds: The case of anionic and neutral imidazole-acetate complexes. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1650-1661 [Journal]
  5. Russell A. Brown, David A. Case
    Second derivatives in generalized Born theory. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1662-1675 [Journal]
  6. N. N. Medvedev, V. P. Voloshin, V. A. Luchnikov, Marina L. Gavrilova
    An algorithm for three-dimensional Voronoi S-network. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1676-1692 [Journal]
  7. Oliver F. Lange, Lars V. Schäfer, Helmut Grubmüller
    Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1693-1702 [Journal]
  8. S. Knippenberg, J.-P. François, M. S. Deleuze
    Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1703-1722 [Journal]
  9. Pathumwadee Intharathep, Anan Tongraar, Kritsana Sagarik
    Ab initio QM/MM dynamics of H3O+ in water. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1723-1732 [Journal]
  10. Pablo Echenique, Iván Calvo, J. L. Alonso
    Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1733-1747 [Journal]
  11. Pablo Echenique, Iván Calvo
    Explicit factorization of external coordinates in constrained statistical mechanics models. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1748-1755 [Journal]
  12. Jian Wang, Yi-Hong Ding, Chia-Chung Sun
    Theoretical mechanistic study on the radical-molecule reactions of cyanomethylidyne with PH3, H2S, and HCl. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1756-1764 [Journal]
  13. Nicholas M. Glykos
    Software news and updates carma: A molecular dynamics analysis program. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:14, pp:1765-1768 [Journal]
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