| 1 | Journal of Chemical Theory and Computation | 53 | 2.0K | 9 | 108 |
| 2 | Journal of Chemical Physics | 30 | 1.6K | 443 | 570 |
| 3 | Wiley Interdisciplinary Reviews: Computational Molecular Science | 1 | 1.3K | 174 | 41 |
| 4 | Physical Chemistry Chemical Physics | 23 | 991 | 166 | 276 |
| 5 | Journal of Physical Chemistry A | 20 | 753 | 329 | 427 |
| 6 | Journal of Physical Chemistry B | 23 | 568 | 191 | 1331 |
| 7 | Journal of the American Chemical Society | 6 | 370 | 7236 | 15670 |
| 8 | Journal of Medicinal Chemistry | 4 | 325 | 3141 | 2138 |
| 9 | Chemical Physics Letters | 9 | 295 | 689 | 937 |
| 10 | Molecular Physics | 5 | 257 | 411 | 312 |
| 11 | Journal of Computer-Aided Molecular Design | 2 | 192 | 292 | 139 |
| 12 | Journal of Physical Chemistry Letters | 6 | 190 | 976 | 2437 |
| 13 | Advances in Quantum Chemistry | 2 | 170 | 41 | 20 |
| 14 | International Journal of Quantum Chemistry | 4 | 124 | 422 | 326 |
| 15 | Journal of Computational Chemistry | 7 | 94 | 186 | 1054 |
| 16 | Proceedings of the National Academy of Sciences of the United States of America | 1 | 88 | 58098 | 64980 |
| 17 | Acta Pharmaceutica Sinica B | 1 | 84 | 633 | 654 |
| 18 | PLoS ONE | 4 | 62 | 27961 | 64566 |
| 19 | Computational and Theoretical Chemistry | 3 | 52 | 209 | 288 |
| 20 | Chemical Physics | 4 | 51 | 409 | 1514 |
| 21 | Biochemistry | 3 | 47 | 3775 | 10840 |
| 22 | Biochimica Et Biophysica Acta - Biomembranes | 3 | 39 | 677 | 3260 |
| 23 | Journal of Organic Chemistry | 2 | 38 | 7889 | 12443 |
| 23 | Antimicrobial Agents and Chemotherapy | 1 | 38 | 6599 | 9025 |
| 25 | Journal of Physical Chemistry C | 3 | 36 | 10382 | 29499 |
| 26 | ChemPhysChem | 1 | 34 | 3415 | 4275 |
| 26 | Chirality | 1 | 34 | 825 | 570 |
| 26 | Medicinal Research Reviews | 1 | 34 | 275 | 1231 |
| 29 | Molecules | 2 | 28 | 15140 | 28652 |
| 30 | Photochemistry and Photobiology | 1 | 27 | 1458 | 1891 |
| 31 | Communications Chemistry | 1 | 26 | 371 | 1102 |
| 32 | Chemical Communications | 1 | 25 | 25348 | 37479 |
| 33 | Chemistry and Physics of Lipids | 2 | 23 | 321 | 1223 |
| 34 | Angewandte Chemie - International Edition | 1 | 22 | 25967 | 50709 |
| 34 | Organic Electronics | 1 | 22 | 2564 | 3563 |
| 36 | Chemistry - A European Journal | 2 | 20 | 10094 | 28288 |
| 37 | Photochemical and Photobiological Sciences | 2 | 19 | 681 | 2629 |
| 38 | Sensors | 1 | 18 | 32185 | 41515 |
| 38 | Interdisciplinary Sciences, Computational Life Sciences | 1 | 18 | 213 | 274 |
| 40 | Integrative Biology (United Kingdom) | 1 | 17 | 327 | 1388 |
| 41 | MedChemComm | 1 | 16 | 869 | 2295 |
| 42 | Bioorganic and Medicinal Chemistry | 1 | 15 | 5966 | 11849 |
| 42 | Chemical Biology and Drug Design | 1 | 15 | 986 | 2052 |
| 44 | Computational and Theoretical Chemistry | 1 | 14 | 1007 | 1443 |
| 45 | Dalton Transactions | 1 | 11 | 14327 | 23441 |
| 45 | Magnetochemistry | 1 | 11 | 371 | 566 |
| 47 | ChemMedChem | 1 | 10 | 2230 | 5833 |
| 48 | Molecular Pharmaceutics | 1 | 9 | 3250 | 8743 |
| 48 | Theoretical Chemistry Accounts | 4 | 9 | 219 | 2109 |
| 50 | ChemBioChem | 2 | 8 | 1360 | 8494 |
| 51 | Journal of Molecular Graphics and Modelling | 2 | 7 | 370 | 2662 |
| 52 | RSC Advances | 1 | 6 | 37136 | 64505 |
| 52 | ACS Omega | 1 | 6 | 10523 | 31945 |
| 52 | Challenges and Advances in Computational Chemistry and Physics | 2 | 6 | 11 | 179 |
| 55 | Journal of Chemical Information and Modeling | 2 | 5 | 1645 | 7602 |
| 55 | BBA Advances | 1 | 5 | 8 | 70 |
| 57 | International Journal of Molecular Sciences | 1 | 4 | 58657 | 64421 |
| 57 | Organic and Biomolecular Chemistry | 1 | 4 | 8112 | 19274 |
| 57 | Advanced Theory and Simulations | 1 | 4 | 359 | 1488 |
| 60 | Angewandte Chemie | 1 | 3 | 26679 | 45254 |
| 60 | Journal of Computational Methods in Sciences and Engineering | 1 | 3 | 62 | 145 |
| 62 | RSC Chemical Biology | 1 | 2 | 118 | 1217 |
| 63 | European Journal of Organic Chemistry | 1 | 1 | 5895 | 14987 |
| 64 | Crystal Growth and Design | 1 | 0 | 6566 | 17392 |
| 64 | Molecular and Cellular Endocrinology | 1 | 0 | 2314 | 8598 |
| 64 | ACS Chemical Neuroscience | 1 | 0 | 2125 | 7624 |
