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Journals in DBLP

Journal of Computational Chemistry
1997, volume: 18, number: 2

  1. Alan J. McMahon, Paul M. King
    Optimization of Carbó molecular similarity index using gradient methods. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:151-158 [Journal]
  2. Antonio M. Márquez, Jaime Oviedo, Javier Fernández Sanz, Michel Dupuis
    Parallel computation of second derivatives of RHF energy on distributed memory computers. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:159-168 [Journal]
  3. Daan M. F. van Aalten, Bert L. de Groot, John B. C. Findlay, Herman J. C. Berendsen, Andrea Amadei
    A comparison of techniques for calculating protein essential dynamics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:169-181 [Journal]
  4. Curt M. Breneman, Marlon Rhem
    QSPR analysis of HPLC column capacity factors for a set of high-energy materials using electronic van der waals surface property descriptors computed by transferable atom equivalent method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:182-197 [Journal]
  5. Ulrike Salzner, Steven M. Bachrach, Debbie C. Mulhearn
    Ab initio investigation of the diels-alder reaction between 2H-phosphole and phosphaethene: A model for phosphole dimerization. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:198-210 [Journal]
  6. Jörg-Rüdiger Hill
    Use of test particle calculations for the derivation of van der Waals parameters used in force fields. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:211-220 [Journal]
  7. Joseph J. Pavelites, Jiali Gao, Paul A. Bash, Alexander D. MacKerell Jr.
    A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:221-239 [Journal]
  8. Hagai Meirovitch, Eva Meirovitch
    Efficiency of monte carlo minimization procedures and their use in analysis of NMR data obtained from flexible peptides. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:240-253 [Journal]
  9. Willian R. Rocha, Wagner B. De Almeida
    Quantum-mechanical and molecular mechanics conformational analysis of 1, 5-cyclooctadiene. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:254-259 [Journal]
  10. Isaac B. Bersuker
    Limitations of density functional theory in application to degenerate states. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:260-267 [Journal]
  11. Robert E. Bruccoleri, Jiri Novotny, Malcolm E. Davis, Kim A. Sharp
    Finite difference Poisson-Boltzmann electrostatic calculations: Increased accuracy achieved by harmonic dielectric smoothing and charge antialiasing. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:268-276 [Journal]
  12. Cheuk-San Wang
    Efficient algorithm for conformational search of macrocyclic molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:277-289 [Journal]
  13. K. F. C. Yiu, Kin Y. Tam, S. C. Tsang
    Crystal indexing method using a simulated annealing algorithm with particular applications in nanocrystal research. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:290-299 [Journal]
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