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A list of journals that regularly publish computational chemistry articles:

American Chemical Society
  • Journal of Chemical Theory and Computation, IF(2020) = 5.0
  • Journal of Chemical Information and Modeling, IF(2020) = 5.0
  • Journal of Physical Chemistry A, IF(2020) = 2.8
  • Journal of Chemical & Engineering Data, IF(2020) = 2.7

American Institute of Physics
  • Journal of Chemical Physics, IF(2020) = 3.5

Royal Society of Chemistry
  • Physical Chemistry Chemical Physics, IF(2020) = 3.9

Wiley
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, IF(2020) = 25.1
  • Journal of Computational Chemistry, IF(2020) = 3.4
  • ChemPhysChem, IF(2020) = 3.1
  • International Journal of Quantum Chemistry, IF(2020) = 2.3
  • Computational and Mathematical Methods
  • Chemistry Select, IF(2020) = 2.1
  • Journal of Physical Organic Chemistry, IF(2020) = 2.4
  • Advanced Theory and Simulations, IF(2020) = 4.0

Elsevier
  • Journal of Molecular Structure, IF(2020) = 3.2
  • Journal of Molecular Graphics and Modelling, IF(2020) = 2.5
  • Chemical Physics Letters, IF(2020) = 2.3
  • Chemical Physics, IF(2020) = 2.4
  • Computational and Theoretical Chemistry, IF(2020) = 1.9
  • Computational Materials Science, IF(2020) = 3.3
  • Molecular Catalysis, IF(2020) = 5.1
  • Applied Surface Science, IF(2020) = 6.6

Taylor & Francis
  • International Reviews in Physical Chemistry, IF(2020) = 4.8
  • Molecular Physics, IF(2020) = 1.9
  • Molecular Simulation, IF(2020) = 2.2

Springer
  • Journal of Computer-Aided Molecular Design, IF(2020) = 2.6
  • Structural Chemistry, IF(2020) = 1.7
  • Theoretical Chemistry Accounts, IF(2020) = 1.7
  • Journal of Molecular Modeling, IF(2020) = 1.8


"It is better to have a good theory which disagrees with experiment than a bad one which fits it very well"
– Lev Landau

"It doesn't matter how beautiful your theory is, if it doesn't agree with  experiment, it's wrong"
– Richard Feynman