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Journals in DBLP

Journal of Computational Chemistry
2004, volume: 25, number: 6

  1. Matthias Keil, Thomas E. Exner, Jürgen Brickmann
    Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:779-789 [Journal]
  2. David Curcó, Carlos Alemán
    Performance of SuSi: A method for generating atomistic models of amorphous polymers based on a random search of energy minima. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:790-798 [Journal]
  3. Rochus Schmid
    Car-Parrinello simulations with a real space method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:799-812 [Journal]
  4. Jun Zeng, Daiqian Xie
    Hydrogen bonding and solvent effects on the lowest 1(n, *) excitations of triazines in water. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:813-822 [Journal]
  5. Nohad Gresh, Sherif A. Kafafi, Jean-François Truchon, Dennis R. Salahub
    Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:823-834 [Journal]
  6. Xiang-Yuan Li, Ke-Xiang Fu, Quan Zhu, Min-Hua Shan
    Continuous medium theory for nonequilibrium solvation: II. Interaction energy between solute charge and reaction field and single-sphere model for spectral shift. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:835-842 [Journal]
  7. Jinn-Moon Yang
    Development and evaluation of a generic evolutionary method for protein-ligand docking. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:843-857 [Journal]
  8. Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov
    Ligand-protein docking using a quantum stochastic tunneling optimization method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:858-864 [Journal]
  9. Yang Zhang, Jeffrey Skolnick
    SPICKER: A clustering approach to identify near-native protein folds. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:865-871 [Journal]
  10. Dmitri G. Fedorov, Ryan M. Olson, Kazuo Kitaura, Mark S. Gordon, Shiro Koseki
    A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO). [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:872-880 [Journal]
  11. Feng Yang, Zhen-Dong Wang, Yun-Ping Huang
    Modification of the Wiener index 4. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:881-887 [Journal]
  12. Fabien Pascale, C. M. Zicovich-Wilson, F. López Gejo, Bartolomeo Civalleri, Roberto Orlando, Roberto Dovesi
    The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:6, pp:888-897 [Journal]
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