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apulido's methodology [5 articles]

Recent papers added to apulido's library classified by the tag methodology. You can also see everyone's methodology.
  • Stability of Group 11 Carbonyl Complexes Cl-M-CO (M = Cu, Ag, Au)
    Inorg. Chem., Vol. 35, No. 7. (27 March 1996), pp. 2089-2096.
    by I Antes, S Dapprich, G Frenking, P Schwerdtfeger
    posted to methodology by apulido on 2008-08-19 10:04:10 as **
  • Alkali and alkaline earth metal compounds: core-valence basis sets and importance of subvalence correlation
    Molecular Physics, Vol. 101, No. 9. (2003), pp. 1345-1361.
    by Mark A Iron, Mikhal Oren, Jan M Martin
    posted to methodology by apulido on 2008-07-25 14:12:16 as **
  • Accurate description of van der Waals complexes by density functional theory including empirical corrections
    Journal of Computational Chemistry, Vol. 25, No. 12. (2004), pp. 1463-1473.
    by Stefan Grimme
    posted to methodology by apulido on 2008-04-17 17:29:41 as ** along with 1 person middledomain
  • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    J. Comput. Chem., Vol. 27, No. 15. (2006), pp. 1787-1799.
    by S Grimme
    posted to methodology by apulido on 2008-04-17 17:22:52 as **
  • B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
    Crystengcomm, Vol. 10, No. 4. (2008), pp. 405-410.
    by B Civalleri, CM Zicovich-Wilson, L Valenzano, P Ugliengo
    posted to methodology by apulido on 2008-04-17 17:15:09 as ** along with 1 person ucbcjbm
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