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Journals in DBLP

Journal of Computational Chemistry
2002, volume: 23, number: 14

  1. Alexey Onufriev, David A. Case, Donald Bashford
    Effective Born radii in the generalized Born approximation: The importance of being perfect. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1297-1304 [Journal]
  2. Pere Constans
    Linear scaling approaches to quantum macromolecular similarity: Evaluating the similarity function. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1305-1313 [Journal]
  3. Stephen J. Titmuss, Peter L. Cummins, Alistair P. Rendell, Andrey A. Bliznyuk, Jill E. Gready
    Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1314-1322 [Journal]
  4. Junichi Higo, Masayoshi Nakasako
    Hydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X-ray crystal structure analyses: On the correlation between crystal water sites, solvent density, and solvent dipole. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1323-1336 [Journal]
  5. Hajime Takashima, So Yamada, Shigeru Obara, Kunihiro Kitamura, Shinjiro Inabata, Nobuaki Miyakawa, Kazutoshi Tanabe, Umpei Nagashima
    A novel parallel algorithm for large-scale Fock matrix construction with small locally distributed memory architectures: RT parallel algorithm. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1337-1346 [Journal]
  6. Xavier Fradera, Miquel Solà
    Electron localization and delocalization in open-shell molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1347-1356 [Journal]
  7. Qingzhang Lu, Guoli Shen, Ruqin Yu
    Genetic training of network using chaos concept: Application to QSAR studies of vibration modes of tetrahedral halides. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1357-1365 [Journal]
  8. Yang Wu, Yi-Hong Ding, Jing-Fa Xiao, Ze-Sheng Li, Xu-Ri Huang, Chia-Chung Sun
    Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4). [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1366-1374 [Journal]
  9. Konstantin P. Novoselov, Denis B. Shirabaikin, Stanislav Ya. Umanskii, Alexander S. Vladimirov, Airat Kh. Minushev, Anatoli A. Korkin
    CHIMERA: A software tool for reaction rate calculations and kinetics and thermodynamics analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:14, pp:1375-1389 [Journal]
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