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Journals in DBLP

Journal of Computational Chemistry
1997, volume: 18, number: 1

  1. Christian Kölle, Karl Jug
    Solvation effects in SINDO1: Application to organic molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:1-8 [Journal]
  2. Elso M. Cruz, Xabier Lopez, Martín Sarobe, Fernando P. Cossío, Jesus M. Ugalde
    G2 study of triplet [H4, Si, P]+ potential energy surface: Mechanism for reaction of P+ (3P) with silane. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:9-19 [Journal]
  3. Wim Klopper
    Simple recipe for implementing computation of first-order relativistic corrections to electron correlation energies in framework of direct perturbation theory. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:20-27 [Journal]
  4. Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer
    Empirical force-field and ab initio calculations on delocalized open chain cations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:28-44 [Journal]
  5. Attila Bérces
    Geometry optimization of metal complexes using natural internal coordinates: Representation of skeletal degrees of freedom. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:45-55 [Journal]
  6. Doyoung Lee, Chang Kon Kim, Bon-Su Lee, Ikchoon Lee, Byung Choon Lee
    A theoretical study on keto-enol tautomerization involving simple carbonyl derivatives. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:56-69 [Journal]
  7. Thomas G. Metzger, David M. Ferguson, William A. Glauser
    A computational analysis of interaction energies in methane and neopentane dimer systems. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:70-79 [Journal]
  8. Mariusz Milik, Andrzej Kolinski, Jeffrey Skolnick
    Algorithm for rapid reconstruction of protein backbone from alpha carbon coordinates. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:80-85 [Journal]
  9. Richard G. A. Bone, Hugo O. Villar
    Exhaustive enumeration of molecular substructures. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:86-107 [Journal]
  10. Kenneth B. Wiberg, Joseph W. Ochterski
    Comparison of different ab initio theoretical models for calculating isodesmic reaction energies for small ring and related compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:108-114 [Journal]
  11. Robert B. Hermann
    Modeling hydrophobic solvation of nonspherical systems: Comparison of use of molecular surface area with accessible surface area. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:115-125 [Journal]
  12. Horst M. Sulzbach, George Vacek, Peter R. Schreiner, John Morrison Galbraith, Paul von Ragué Schleyer, Henry F. Schaefer III
    NMR chemical shielding surface of N-Acetyl-N-Methylalaninamide: A density functional study. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:126-138 [Journal]
  13. Christian Bartels, Peter Güntert, Martin Billeter, Kurt Wüthrich
    GARANT-a general algorithm for resonance assignment of multidimensional nuclear magnetic resonance spectra. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:1, pp:139-149 [Journal]
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