Journals in DBLP

Journal of Computational Chemistry
2006, volume: 27, number: 13

1. Myungshim Kang, Paul E. Smith
   A Kirkwood-Buff derived force field for amides. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1477-1485 [Journal]
   
2. Marcel Swart, Ernst Rösler, F. Matthias Bickelhaupt
   Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1486-1493 [Journal]
   
3. Haibo Yu, Daan P. Geerke, Haiyan Liu, Wilfred F. van Gunsteren
   Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1494-1504 [Journal]
   
4. P. Salvador, D. Asturiol, I. Mayer
   A general efficient implementation of the BSSE-free SCF and MP2 methods based on the chemical Hamiltonian approach. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1505-1516 [Journal]
   
5. Alexey Aleksandrov, Thomas Simonson
   The tetracycline: Mg2+ complex: A molecular mechanics force field. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1517-1533 [Journal]
   
6. Elena Herzog, Tomaso Frigato, Volkhard Helms, C. Roy D. Lancaster
   Energy barriers of proton transfer reactions between amino acid side chain analogs and water from ab initio calculations. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1534-1547 [Journal]
   
7. Anders Irbäck, Sandipan Mohanty
   PROFASI: A Monte Carlo simulation package for protein folding and aggregation. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1548-1555 [Journal]
   
8. Yi-Yu Ke, Yun-Chu Chen, Thy-Hou Lin
   Structure of the virus capsid protein VP1 of enterovirus 71 predicted by some homology modeling and molecular docking studies. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1556-1570 [Journal]
   
9. Zhen Xi, Zhihong Yu, Congwei Niu, Shurong Ban, Guangfu Yang
   Development of a general quantum-chemical descriptor for steric effects: Density functional theory based QSAR study of herbicidal sulfonylurea analogues. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2006, v:27, n:13, pp:1571-1576 [Journal]
   
10. Meng-Sheng Liao, John D. Watts, Ming-Ju Huang
    Assessment of the performance of density-functional methods for calculations on iron porphyrins and related compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:13, pp:1577-1592 [Journal]
    
11. Yuedong Yang, Haiyan Liu
    Genetic algorithms for protein conformation sampling and optimization in a discrete backbone dihedral angle space. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:13, pp:1593-1602 [Journal]
    
12. Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
    Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:13, pp:1603-1619 [Journal]
    
13. Matteo Ceccarelli, Piero Procacci, Massimo Marchi
    Erratum - An ab initio force field for the cofactors of bacterial photosynthesis. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:13, pp:1620- [Journal]
    
14. Felix Studt, Felix Tuczek
    Theoretical, spectroscopic, and mechanistic studies on transition-metal dinitrogen complexes: Implications to reactivity and relevance to the nitrogenase problem. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:13, pp:1621- [Journal]