Journal Abbreviation: J MOL STRUCT
Journal ISSN: 0022-2860
| Year | Impact Factor (IF) | Total Articles | Total Cites |
| 2024 (2025 update) | 4.7 | - | 65576 |
| 2023 | 4.0 | - | - |
| 2022 | 3.8 | - | 45279 |
| 2021 | 3.841 | - | 39668 |
| 2020 | 3.196 | 1755 | 31008 |
| 2019 | 2.463 | 1445 | 23567 |
| 2018 | 2.120 | 1196 | 20262 |
| 2017 | 2.011 | 1486 | 18768 |
| 2016 | 1.753 | 945 | 15934 |
| 2015 | 1.780 | 892 | 16284 |
| 2014 | 1.602 | 831 | 14924 |
| 2013 | 1.599 | 954 | 14371 |
| 2012 | 1.404 | 615 | 12823 |
| 2011 | 1.634 | 720 | 13071 |