Bridging electron and nuclear motions in chemical reactions through electrostatic forces from reactive orbitals
Abstract This study presents a physics-based framework for understanding chemical reactions, highlighting the critical role of the occupied reactive orbital, the most stabilized occupied orbital during a reaction, in guiding atomic nuclei via electrostatic forces. These forces, termed reactive-orbit...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-05-01
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| Series: | Communications Chemistry |
| Online Access: | https://doi.org/10.1038/s42004-025-01556-5 |
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