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Journals in DBLP

Journal of Computational Chemistry
2006, volume: 27, number: 4

  1. Kazuya Ishimura, Peter Pulay, Shigeru Nagase
    A new parallel algorithm of MP2 energy calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:407-413 [Journal]
  2. Arnaldo Rapallo
    An algorithm for the uniform sampling of iso-energy surfaces and for the calculation of microcanonical averages. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:414-425 [Journal]
  3. Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
    On the reversible O2 binding of the Fe-porphyrin complex. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:426-433 [Journal]
  4. Pekka Manninen, Juha Vaara
    Systematic Gaussian basis-set limit using completeness-optimized primitive sets. A case for magnetic properties. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:434-445 [Journal]
  5. Franci Merzel, Milan Hodoscek, Dusanka Janezic, Alain Sanson
    New force field for calcium binding sites in annexin-membrane complexes. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:446-452 [Journal]
  6. Norio Yoshida, Fumio Hirata
    A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:453-462 [Journal]
  7. Masahiro Sekiya, Takeshi Noro, Eisaku Miyoshi, You Osanai, Toshikatsu Koga
    Relativistic correlating basis sets for lanthanide atoms from Ce to Lu. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:463-470 [Journal]
  8. Hideaki Nakamura, Masaru Aniya
    Thermodynamic properties of Ag2OB2O3 glasses by a modified scale-transformed energy space sampling Monte Carlo method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:471-477 [Journal]
  9. Xuan Xiao, Shihuang Shao, Zheng-De Huang, Kuo-Chen Chou
    Using pseudo amino acid composition to predict protein structural classes: Approached with complexity measure factor. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:478-482 [Journal]
  10. Gerald Geudtner, Florian Janetzko, Andreas M. Köster, Alberto Vela, Patrizia Calaminici
    Parallelization of the deMon2k code. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:483-490 [Journal]
  11. Mark P. Waller, Arturo Robertazzi, James A. Platts, David E. Hibbs, Peter A. Williams
    Hybrid density functional theory for -stacking interactions: Application to benzenes, pyridines, and DNA bases. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:491-504 [Journal]
  12. Qiang Wang, Yi-Hong Ding, Hong-Bin Xie, Chia-Chung Sun
    Theoretical study on structures and stabilities of [H, Ge, C, N]. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:505-514 [Journal]
  13. Arianna Fornili, Yohann Moreau, Maurizio Sironi, Xavier Assfeld
    On the suitability of strictly localized orbitals for hybrid QM/MM calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:515-523 [Journal]
  14. Josep M. Oliva, Luis Serrano-Andrés
    A computational study of the lowest singlet and triplet states of neutral and dianionic 1, 2-substituted icosahedral and octahedral o-carboranes. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:4, pp:524-535 [Journal]
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