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Journals in DBLP

Journal of Computational Chemistry
1997, volume: 18, number: 9

  1. Andrean Goede, Robert Preissner, Cornelius Frömmel
    Voronoi cell: New method for allocation of space among atoms: Elimination of avoidable errors in calculation of atomic volume and density. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1113-1123 [Journal]
  2. Leticia González, Otilia Mó, Manuel Yaáñez
    High-level ab initio versus DFT calculations on (H2O2)2 and H2O2-H2O complexes as prototypes of multiple hydrogen bond systems. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1124-1135 [Journal]
  3. Pavel Hobza, Martin Kabelác, Jirí Sponer, Petr Mejzlík, Jiri Vondrásek
    Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree-Fock res [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1136-1150 [Journal]
  4. Mark A. Murcko, B. Govinda Rao, Roberto Gomperts
    Conformational analysis of HIV-1 protease inhibitors: 2. Thioproline P1 Residue in the potent inhibitor KNI-272. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1151-1166 [Journal]
  5. Shijun Zheng, Lingpeng Meng, Xinhua Cai, Zhenfeng Xu, Xiaoyuan Fu
    Topological studies on IRC paths of X+H2XH+H reactions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1167-1174 [Journal]
  6. Todd J. A. Ewing, Irwin D. Kuntz
    Critical evaluation of search algorithms for automated molecular docking and database screening. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1175-1189 [Journal]
  7. Sanja Sekusak, Aleksandar Sabljic
    Reactivity of haloethanes with hydroxyl radicals: Effects of basis set and correlation energy on reaction energetics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1190-1199 [Journal]
  8. Alexander V. Mitin, Gerhard Hirsch, Robert J. Buenker
    Accurate atomic Gaussian basis functions for second-row atoms: Small split-valence 3-21SP and 4-22SP basis sets. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1200-1210 [Journal]
  9. Renate Griffith, John B. Bremner, Stephen J. Titmuss
    Molecular mechanics study of transannular amine-ketone (NC(DOUBLE BOND)O) interaction in medium-sized heterocycles. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1211-1221 [Journal]
  10. JooYoung Lee, Harold A. Scheraga, Shelly Rackovsky
    New optimization method for conformational energy calculations on polypeptides: Conformational space annealing. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1222-1232 [Journal]
  11. John Arthur Niesse, Howard R. Mayne
    Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1233-1244 [Journal]
  12. Nidhi Arora, B. Jayaram
    Strength of hydrogen bonds in helices. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1245-1252 [Journal]
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