| 1 | Journal of Chemical Theory and Computation | 28 | 3.7K | 37 | 67 |
| 2 | Journal of Physical Chemistry B | 11 | 1.6K | 977 | 304 |
| 3 | Journal of Chemical Physics | 9 | 1.5K | 2609 | 714 |
| 4 | Journal of Physical Chemistry A | 9 | 810 | 1311 | 434 |
| 5 | Physical Chemistry Chemical Physics | 11 | 417 | 1018 | 1507 |
| 6 | Proteins: Structure, Function and Bioinformatics | 2 | 400 | 1147 | 346 |
| 6 | Chemical Reviews | 1 | 400 | 1819 | 5049 |
| 8 | Philosophical Transactions Series A, Mathematical, Physical, and Engineering Sciences | 1 | 313 | 1577 | 204 |
| 9 | Journal of Computational Chemistry | 4 | 245 | 436 | 550 |
| 10 | Journal of the American Chemical Society | 1 | 207 | 35495 | 28023 |
| 11 | Wiley Interdisciplinary Reviews: Computational Molecular Science | 1 | 184 | 189 | 284 |
| 12 | Computational and Theoretical Chemistry | 1 | 183 | 1017 | 100 |
| 13 | Nano Letters | 2 | 141 | 8731 | 14129 |
| 14 | Chemical Physics | 1 | 135 | 2120 | 520 |
| 15 | Journal of the Royal Society Interface | 1 | 80 | 1904 | 1951 |
| 16 | Chemical Science | 2 | 72 | 4969 | 11407 |
| 17 | Journal of Molecular Biology | 1 | 66 | 6464 | 8617 |
| 18 | Journal of Physical Chemistry Letters | 2 | 65 | 5289 | 8929 |
| 19 | Scientific Reports | 1 | 60 | 47011 | 64944 |
| 20 | Journal of Computer-Aided Molecular Design | 1 | 51 | 631 | 606 |
| 21 | PLoS ONE | 3 | 28 | 46376 | 64747 |
| 21 | Physica Status Solidi (B): Basic Research | 1 | 28 | 2123 | 1490 |
| 23 | Biophysical Journal | 1 | 22 | 9016 | 12178 |
| 24 | Theoretical Chemistry Accounts | 1 | 16 | 1186 | 1687 |
| 25 | Proceedings of the National Academy of Sciences of the United States of America | 1 | 13 | 58275 | 64901 |
| 26 | Journal of Materials Chemistry C | 1 | 7 | 11648 | 28410 |
| 27 | Organic and Biomolecular Chemistry | 1 | 5 | 8170 | 19767 |
| 28 | Organic Chemistry Frontiers | 1 | 4 | 2421 | 6465 |
| 29 | Materials Research Society Symposia Proceedings | 1 | 1 | 6095 | 7159 |
