From acetylene complexes to vinylidene structures: The GeC2H2 system

@article{Hao2011FromAC,
  title={From acetylene complexes to vinylidene structures: The GeC2H2 system},
  author={Qiang Hao and Andrew C. Simmonett and Yukio Yamaguchi and De-Cai Fang and Henry F. Schaefer},
  journal={Journal of computational chemistry},
  year={2011},
  volume={32 1},
  pages={15-22}
}
The expansion of germanium chemistry in recent years has been rapid. In anticipation of new experiments, a systematic theoretical investigation of the eight low lying electronic singlet GeC(2) H(2) stationary points is carried out. This research used ab initio self-consistent-field (SCF), coupled cluster (CC) with single and double excitations (CCSD), and… CONTINUE READING