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Journals in DBLP

Journal of Computational Chemistry
2006, volume: 27, number: 7

  1. Peng Bao, Zhong-Heng Yu
    Theoretical studies on the role of -electron delocalization in determining the conformation of N-benzylideneaniline with three types of LMO basis sets. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:809-824 [Journal]
  2. Seongho Moon, David A. Case
    A comparison of quantum chemical models for calculating NMR shielding parameters in peptides: Mixed basis set and ONIOM methods combined with a complete basis set extrapolation. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:825-836 [Journal]
  3. Jean-Francois Fuchs, Hristo Nedev, David Poger, Michel Ferrand, Valérie Brenner, Jean-Pierre Dognon, Serge Crouzy
    New model potentials for sulfur-copper(I) and sulfur-mercury(II) interactions in proteins: From ab initio to molecular dynamics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:837-856 [Journal]
  4. Yu Zhou, Chris Oostenbrink, Aldo Jongejan, Wilfred F. van Gunsteren, Wilfred R. Hagen, Simon W. De Leeuw, Jaap A. Jongejan
    Computational study of ground-state chiral induction in small peptides: Comparison of the relative stability of selected amino acid dimers and oligomers in homochiral and heterochiral combinations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:857-867 [Journal]
  5. Lionello Pogliani
    The hydrogen perturbation in molecular connectivity computations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:868-882 [Journal]
  6. Lin Jin, Yi-Hong Ding, Jian Wang, Chia-Chung Sun
    Reaction mechanism of the CCN radical with nitric oxide. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:883-893 [Journal]
  7. Jia-Xu Zhang, Ze-Sheng Li, Jing-Yao Liu, Chia-Chung Sun
    Theoretical study on the mechanism of the CH2F + NO2 reaction. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:894-905 [Journal]
  8. Kazuki Ohno, Minoru Sakurai
    Linear-scaling molecular orbital calculations for the pKa values of ionizable residues in proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:7, pp:906-916 [Journal]
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