Journals in DBLP

Journal of Computational Chemistry
2003, volume: 24, number: 6

1. Maurizio Cossi, Nadia Rega, Giovanni Scalmani, Vincenzo Barone
   Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:669-681 [Journal]
   
2. David Bosch, Mercedes Campillo, Leonardo Pardo
   Binding of proteins to the minor groove of DNA: What are the structural and energetic determinants for kinking a basepair step?. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:682-691 [Journal]
   
3. A. S. Zyubin, A. M. Mebel
   Performance of time-dependent density functional and Green functions methods for calculations of excitation energies in radicals and for Rydberg electronic states. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:692-700 [Journal]
   
4. Laura Masgrau, Àngels González-Lafont, José M. Lluch
   Dependence of the rate constants on the treatment of internal rotation modes: The reaction OH + CH3SH CH3S + H2O as an example. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:701-706 [Journal]
   
5. Luis Lorenzo, Ricardo A. Mosquera
   A box-counting-based algorithm for computing Shannon entropy in molecular dynamics simulations. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:707-713 [Journal]
   
6. Axel Koslowski, Michael E. Beck, Walter Thiel
   Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:714-726 [Journal]
   
7. Yu-Dong Cai, Xiao-Jun Liu, Kuo-Chen Chou
   Prediction of protein secondary structure content by artificial neural network. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:727-731 [Journal]
   
8. Peter M. W. Gill, Siu-Hung Chien
   Radial quadrature for multiexponential integrands. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:732-740 [Journal]
   
9. Tanja Schulz-Gasch, Martin Stahl
   Mechanistic insights into oxidosqualene cyclizations through homology modeling. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:6, pp:741-753 [Journal]
   
10. Markus Pernpointner, Lucas Visscher
    Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithm. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:6, pp:754-759 [Journal]
    
11. Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch
    Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:6, pp:760-769 [Journal]
    
12. David Zanuy, Carlos Alemán, Manuel Laso, Sebastián Muñoz-Guerra
    Thermally induced phase transition in helical comblike poly(-peptide)s: An atomistic simulation. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:6, pp:770-778 [Journal]
    
13. Matteo Pappalardo, Danilo Milardi, Domenico M. Grasso, Carmelo La Rosa
    Free energy perturbation and molecular dynamics calculations of copper binding to azurin. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:6, pp:779-785 [Journal]
    
14. Mark Pinsky, Dina Yogev-Einot, David Avnir
    Statistical analysis of the estimation of distance measures. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:6, pp:786-796 [Journal]