Molden: a pre- and post-processing program for molecular and electronic structures

@article{Schaftenaar2000MoldenAP,
  title={Molden: a pre- and post-processing program for molecular and electronic structures},
  author={G. Schaftenaar and Jan H. Noordik},
  journal={Journal of computer-aided molecular design},
  year={2000},
  volume={14 2},
  pages={123-34}
}
Molden is a software package for pre- and postprocessing of computational chemistry program data. Interfacing to the ab initio programs Games-US/UK and Gaussian and to the semi-empirical package MOPAC is provided. The emphasis is on computation and visualization of electronic and molecular properties but, e.g., reaction pathways can be simulated as well. Some molecular properties of interest are processed directly from the output of the computational chemistry programs, others are calculated in… CONTINUE READING
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