CITATION.cff

# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!

cff-version: 1.2.0
title: >-
  Atomic Charge Calculator II: web-based tool for the
  calculation of partial atomic charges
message: >-
  Please cite this software using the metadata from
  'preferred-citation'.
type: software
authors:
  - given-names: Tomáš
    family-names: Raček
    orcid: 'https://orcid.org/0000-0002-0296-2452'
  - given-names: Ondřej
    family-names: Schindler
    orcid: 'https://orcid.org/0000-0002-9047-0334'
  - given-names: Dominik
    family-names: Toušek
  - given-names: Vladimír
    family-names: Horský
    orcid: 'https://orcid.org/0000-0002-9252-5386'
  - given-names: Karel
    family-names: Berka
    orcid: 'https://orcid.org/0000-0001-9472-2589'
  - given-names: Jaroslav
    family-names: Koča
    orcid: 'https://orcid.org/0000-0002-2780-4901'
  - given-names: Radka
    family-names: Svobodová Vařeková
    orcid: 'https://orcid.org/0000-0002-3840-8760'
keywords:
  - partial atomic charges
  - molecular structures
  - non-QM charge calculation methods
  - electrostatics
  - chemoinformatics
license: MIT
preferred-citation:
  authors:
    - given-names: Tomáš
      family-names: Raček
      orcid: 'https://orcid.org/0000-0002-0296-2452'
    - given-names: Ondřej
      family-names: Schindler
      orcid: 'https://orcid.org/0000-0002-9047-0334'
    - given-names: Dominik
      family-names: Toušek
    - given-names: Vladimír
      family-names: Horský
      orcid: 'https://orcid.org/0000-0002-9252-5386'
    - given-names: Karel
      family-names: Berka
      orcid: 'https://orcid.org/0000-0001-9472-2589'
    - given-names: Jaroslav
      family-names: Koča
      orcid: 'https://orcid.org/0000-0002-2780-4901'
    - given-names: Radka
      family-names: Svobodová
      orcid: 'https://orcid.org/0000-0002-3840-8760'
  title: >-
    Atomic Charge Calculator II: web-based tool for the calculation of partial
    atomic charges
  type: article
  doi: 10.1093/nar/gkaa367
  journal: Nucleic Acids Research
  issue: W1
  volume: 48
  year: 2020
  month: 7