Citing LModeA-nano

If you find LModeA-nano useful in your research, please support this project by citing the following paper in your publications/reports:

  1. Tao, W. Zou, S. Nanayakkara, et al., LModeA-nano: A PyMOL Plugin for Calculating Bond Strength in Solids, Surfaces, and Molecules via Local Vibrational Mode Analysis, J. Chem. Theory Comput. 18, 1821 (2022)

@article{Tao2022,
  year = {2022},
  volume = {18},
  number = {3},
  pages = {1821--1837},
  author = {Yunwen Tao and Wenli Zou and Sadisha Nanayakkara and Elfi Kraka},
  title = {{LModeA}-nano: A {PyMOL} Plugin for Calculating Bond Strength in Solids, Surfaces, and Molecules via Local Vibrational Mode Analysis},
  journal = {J. Chem. Theory Comput.}
}

Additional references include:

  1. Tao, W. Zou, D Sethio, et al., In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems, J. Chem. Theory Comput. 15, 1761 (2019) 📎

  1. Kraka, W. Zou, Y. Tao, Decoding Chemical Information from Vibrational Spectroscopy Data: Local Vibrational Mode Theory, WIREs: Comput. Mol. Sci. 10, e1480 (2020) 📎