@article{fdi:010074849,
  title = {{A} theoretical study of the properties of ninety-two "aromatic" six-membered rings including benzene, azines, phosphinines and azaphosphinines},
  author = {{E}lguero, {E}ric and {A}lkorta, {I}. and {E}lguero, {J}.},
  editor = {},
  language = {{ENG}},
  abstract = {{N}inety-two unsaturated hexagonal compounds (from benzene to hexaphosphinine, including azines and azaphosphinines) have been theoretically studied at {DFT} level, {B}3{LYP}/6-311++{G}(d,p). {L}one pair/lone pair repulsion between adjacent {N} atoms has been deduced using an empirical partition of the energy. {A}romaticity based on magnetic criteria and on {B}ader analysis was studied finding that both criteria were almost orthogonal. {T}he structure that are nonplanar or broken have been analyzed in function of their geometry or the fragments, respectively.},
  keywords = {},
  booktitle = {},
  journal = {{H}eteroatom {C}hemistry},
  volume = {29},
  numero = {4},
  pages = {e21441 [9 p.]},
  ISSN = {1042-7163},
  year = {2018},
  DOI = {10.1002/hc.21441},
  URL = {https://www.documentation.ird.fr/hor/fdi:010074849},
}