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Journals in DBLP

Journal of Computational Chemistry
2006, volume: 27, number: 3

  1. Zhijian Wu
    Electronic structures of 3d-metal mononitrides. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:267-276 [Journal]
  2. Kaushalya S. Ekanayake, Pierre R. Lebreton
    Activation barriers for DNA alkylation by carcinogenic methane diazonium ions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:277-286 [Journal]
  3. Andrzej Bil, Zdzislaw Latajka
    The hydroperoxy radical as a hydrogen bond acceptor. HOO-HCl complexes - Ab initio study. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:287-295 [Journal]
  4. Andrei M. Tokmachev, R. Dronskowski
    Electron group functions for the analysis of the electronic structures of molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:296-308 [Journal]
  5. Heinz Sklenar, Daniel Wüstner, Remo Rohs
    Using internal and collective variables in Monte Carlo simulations of nucleic acid structures: Chain breakage/closure algorithm and associated Jacobians. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:309-315 [Journal]
  6. Tsjerk A. Wassenaar, Alan E. Mark
    The effect of box shape on the dynamic properties of proteins simulated under periodic boundary conditions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:316-325 [Journal]
  7. Eirik Fossgård, Kenneth Ruud
    Superlinear scaling in master-slave quantum chemical calculations using in-core storage of two-electron integrals. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:326-333 [Journal]
  8. Prasad V. Bharatam, Pansy Iqbal
    Theoretical studies on electron delocalization in diaminoguanidine. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:334-343 [Journal]
  9. Inmaculada García Cuesta, Alfredo M. J. Sánchez De Merás, Paolo Lazzeretti
    Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. IV. Dihydrophospholophosphole isomers. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:344-351 [Journal]
  10. Timothy J. Dudley, Ryan M. Olson, Michael W. Schmidt, Mark S. Gordon
    Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivatives. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:352-362 [Journal]
  11. Jian Wang, Yi-Hong Ding, Gong-Bing Wu, Chia-Chung Sun
    Gaseous reaction mechanism of C2F radical with water. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:363-367 [Journal]
  12. Ke-Xiang Fu, Quan Zhu, Xiang-Yuan Li, Zhen Gong, Jian-Yi Ma, Rong-Xing He
    Continuous medium theory for nonequilibrium solvation: IV. Solvent reorganization energy of electron transfer based on conductor-like screening model. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:368-374 [Journal]
  13. Geoffrey K. Hom, Stephen L. Mayo
    A search algorithm for fixed-composition protein design. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:375-378 [Journal]
  14. Hisashi Okumura, Yuko Okamoto
    Multibaric-multithermal ensemble molecular dynamics simulations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:379-395 [Journal]
  15. R. Svobodová Vareková, J. Koca
    Optimized and parallelized implementation of the electronegativity equalization method and the atom-bond electronegativity equalization method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:3, pp:396-405 [Journal]
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