Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set

Marek Freindorf, Jiali Gao. Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set. Journal of Computational Chemistry, 17(4):386-395, 1996. [doi]

@article{FreindorfG96,
  title = {Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set},
  author = {Marek Freindorf and Jiali Gao},
  year = {1996},
  doi = {10.1002/(SICI)1096-987X(199603)17:4<386::AID-JCC1>3.0.CO;2-Q},
  url = {http://dx.doi.org/10.1002/(SICI)1096-987X(199603)17:4<386::AID-JCC1>3.0.CO;2-Q},
  tags = {optimization},
  researchr = {https://researchr.org/publication/FreindorfG96},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {17},
  number = {4},
  pages = {386-395},
}