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Journals that regularly publish computational chemistry articles:

(Disclaimer: Impact Factors are based on 2023 or 2024 data. They change annually and are not the sole indicator of a journal’s quality or reputation.)

Publisher	Journal Name	IF
ACS	Journal of Chemical Theory and Computation	5.7
	Journal of Chemical Information and Modeling	5.7
	Journal of Physical Chemistry Letters	4.9
	Journal of Physical Chemistry A	2.7
	Journal of Physical Chemistry B	2.8
	Journal of Physical Chemistry C	3.3
	Journal of Chemical & Engineering Data	2.1
Wiley	Wiley Interdisciplinary Reviews: Computational Molecular Science	16.8
	Journal of Computational Chemistry	3.4
	Advanced Theory and Simulations	2.9
	ChemPhysChem	2.3
	International Journal of Quantum Chemistry	2.3
	Journal of Physical Organic Chemistry	1.9
Elsevier	Applied Surface Science	6.3
	Journal of Molecular Structure	4.0
	Molecular Catalysis	3.9
	Computational Materials Science	3.1
	Computational and Theoretical Chemistry	3.0
	Chemical Physics Letters	2.8
	Journal of Molecular Graphics and Modelling	2.7
	Chemical Physics	2.0
Taylor & Francis	International Reviews in Physical Chemistry	2.5
	Molecular Simulation	1.9
	Molecular Physics	1.6
Springer	Journal of Computer-Aided Molecular Design	3.0
	Structural Chemistry	2.1
	Journal of Molecular Modeling	2.1
	Theoretical Chemistry Accounts	1.6
AIP	Journal of Chemical Physics	3.1
RSC	Physical Chemistry Chemical Physics (PCCP)	2.9

Chemical Data Journals:

Publisher	Journal Name	IF
Nature	Nature Scientific Data	6.9
Springer	Journal of Cheminformatics	5.7
ACS	Journal of Chemical Information and Modeling	5.7
	Journal of Chemical & Engineering Data	2.1
Elsevier	Chemical Data Collections	2.7
	Data in Brief	1.4