How to Cite IOData

When you use IOData in your research, please cite the IOData paper in all publications resulting from that research. The reference is provided in several formats below:

• BibTeX:

  @article{iodata,
      title        = {
          IOData: A python library for reading, writing, and converting computational
          chemistry file formats and generating input files
      },
      author       = {
          Verstraelen, Toon and Adams, William and Pujal, Leila and Tehrani, Alireza
          and Kelly, Braden D. and Macaya, Luis and Meng, Fanwang and Richer, Michael
          and Hernández-Esparza, Raymundo and Yang, Xiaotian Derrick and Chan,
          Matthew and Kim, Taewon David and Cools-Ceuppens, Maarten and Chuiko,
          Valerii and Vöhringer-Martinez, Esteban and Ayers, Paul W. and
          Heidar-Zadeh, Farnaz
      },
      year         = 2021,
      journal      = {J. Comput. Chem.},
      volume       = 42,
      number       = 6,
      pages        = {458--464},
      doi          = {10.1002/jcc.26468},
      url          = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.26468}
  }
  

• EndNote

  %0 Journal Article
  %A Verstraelen, Toon
  %A Adams, William
  %A Pujal, Leila
  %A Tehrani, Alireza
  %A Kelly, Braden D.
  %A Macaya, Luis
  %A Meng, Fanwang
  %A Richer, Michael
  %A Hernández-Esparza, Raymundo
  %A Yang, Xiaotian Derrick
  %A Chan, Matthew
  %A Kim, Taewon David
  %A Cools-Ceuppens, Maarten
  %A Chuiko, Valerii
  %A Vöhringer-Martinez, Esteban
  %A Ayers, Paul W.
  %A Heidar-Zadeh, Farnaz
  
  %T IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files
  %D 2021
  %J Journal of Computational Chemistry
  %P 458-464
  %V 42
  %N 6
  %@ 0192-8651
  %R https://doi.org/10.1002/jcc.26468
  %U https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.26468
  

• RIS (ProCite, Reference Manager)

  TY  - JOUR
  T1  - IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files
  AU  - Verstraelen, Toon
  AU  - Adams, William
  AU  - Pujal, Leila
  AU  - Tehrani, Alireza
  AU  - Kelly, Braden D.
  AU  - Macaya, Luis
  AU  - Meng, Fanwang
  AU  - Richer, Michael
  AU  - Hernández-Esparza, Raymundo
  AU  - Yang, Xiaotian Derrick
  AU  - Chan, Matthew
  AU  - Kim, Taewon David
  AU  - Cools-Ceuppens, Maarten
  AU  - Chuiko, Valerii
  AU  - Vöhringer-Martinez, Esteban
  AU  - Ayers, Paul W.
  AU  - Heidar-Zadeh, Farnaz
  Y1  - 2021/03/05
  PY  - 2021
  DA  - 2021/03/05
  DO  - 10.1002/jcc.26468
  T2  - Journal of Computational Chemistry
  JF  - Journal of Computational Chemistry
  JO  - Journal of Computational Chemistry
  JA  - J Comput Chem
  SP  - 458
  EP  - 464
  VL  - 42
  IS  - 6
  KW  - basis set conversion
  KW  - chemistry software development
  KW  - computational chemistry
  KW  - data parsing
  KW  - file format conversion
  KW  - input file generation
  KW  - JSON schema
  KW  - molecular mechanics
  KW  - quantum chemistry
  KW  - theoretical chemistry Python library
  PB  - John Wiley & Sons, Ltd
  SN  - 0192-8651
  UR  - https://doi.org/10.1002/jcc.26468
  Y2  - 2024/06/21
  ER  -