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Make it easier to cite the IOData paper
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117 changes: 117 additions & 0 deletions docs/how_to_cite.rst
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.. _how_to_cite:

How to Cite IOData
------------------

Please cite the `IOData paper <https://doi.org/10.1002/jcc.26468>`_.
The citation is provided in various formats below:

- BibTeX:

.. code-block:: 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

.. code-block:: text
%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)

.. code-block:: text
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 -
5 changes: 4 additions & 1 deletion docs/index.rst
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Expand Up @@ -40,7 +40,9 @@ Please use the following citation in any publication using IOData library:
formats and generating input files."**, T. Verstraelen, W. Adams, L. Pujal, A. Tehrani, B. D.
Kelly, L. Macaya, F. Meng, M. Richer, R. Hernandez‐Esparza, X. D. Yang, M. Chan, T. D. Kim, M.
Cools‐Ceuppens, V. Chuiko, E. Vohringer‐Martinez,P. W. Ayers, F. Heidar‐Zadeh,
`J Comput Chem. 2021; 42: 458– 464 <https://doi.org/10.1002/jcc.26468>`__.
`J Comput Chem. 2021; 42: 458–464 <https://doi.org/10.1002/jcc.26468>`__.

Copy-pasteable citation records in varous formats are provided in :ref:`how_to_cite`.

For the list of file formats that can be loaded or dumped by IOData, see
:ref:`file_formats`. The two tables below summarize the file formats and
Expand Down Expand Up @@ -68,6 +70,7 @@ User Documentation
:maxdepth: 2

install
how_to_cite
getting_started
formats
inputs
Expand Down

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