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Journals in DBLP

Journal of Computational Chemistry
1996, volume: 17, number: 2

  1. Stephan Reiling, Jürgen Brickmann, Michael Schlenkrich, Philippe A. Bopp
    Theoretical investigations on 1, 2-ethanediol: The problem of intramolecular hydrogen bonds. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:133-147 [Journal]
  2. Iñaki Tuñón, Manuel F. Ruiz-López, Daniel Rinaldi, Juan Bertrán
    Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:148-155 [Journal]
  3. Marcelo Giordan, Rogério Custodio, José Roberto Trigo
    Pyrrolizidine alkaloids necine bases: Ab initio, semiempirical, and molecular mechanics approaches to molecular properties. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:156-166 [Journal]
  4. Ana Luiza M. S. de Azevedo, Benício B. Neto, Ieda S. Scarminio, Anselmo E. de Oliveira, Roy E. Bruns
    A chemometric analysis of ab initio vibrational frequencies and infrared intensities of methyl fluoride. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:167-177 [Journal]
  5. A. I. Panin, O. V. Sizova
    Direct CI method in restricted configuration spaces. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:178-184 [Journal]
  6. Kenneth B. Wiberg, Henry Castejon, Todd A. Keith
    Solvent effects: 6. A comparison between gas phase and solution acidities. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:185-190 [Journal]
  7. Shigetaka Yoneda, Masako Kitazawa, Hideaki Umeyama
    Molecular dynamics simulation of a rhinovirus capsid under rotational symmetry boundary conditions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:191-203 [Journal]
  8. Alesia Sawyer, Erica Sullivan, Yitbarek H. Mariam
    A semiempirical computational study of electron transfer reactivity of one- vs. two-ring model systems for anthracycline pharmacophores. I. A rationale for mode of action. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:204-225 [Journal]
  9. Takeshi Kikuchi
    Inter-C atomic potentials derived from the statistics of average interresidue distances in proteins: Application to bovine pancreatic trypsin inhibitor. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:226-237 [Journal]
  10. Seunho Jung, Dugki Min, Rawle I. Hollingsworth
    A metropolis Monte Carlo method for analyzing the energetics and dynamics of lipopolysaccharide supramolecular structure and organization. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:238-249 [Journal]
  11. Grant Heffelfinger, Martin E. Lewitt
    A comparison between two massively parallel algorithms for Monte Carlo computer simulation: An investigation in the grand canonical ensemble. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:2, pp:250-265 [Journal]
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