Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonaddit

Gilles Tiraboschi, Bernard-Pierre Roques, Nohad Gresh. Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonaddit. Journal of Computational Chemistry, 20(13):1379-1390, 1999. [doi]

@article{TiraboschiRG99,
  title = {Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonaddit},
  author = {Gilles Tiraboschi and Bernard-Pierre Roques and Nohad Gresh},
  year = {1999},
  doi = {10.1002/(SICI)1096-987X(199910)20:13<1379::AID-JCC5>3.0.CO;2-0},
  url = {http://dx.doi.org/10.1002/(SICI)1096-987X(199910)20:13<1379::AID-JCC5>3.0.CO;2-0},
  researchr = {https://researchr.org/publication/TiraboschiRG99},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {20},
  number = {13},
  pages = {1379-1390},
}