Visualization of Electron Density Changes Along Chemical Reaction Pathways
We propose a simple procedure for visualizing the electron density changes (EDC) during a chemical reaction, which is based on a mapping of rectangular grid points for a stationary structure into (distorted) positions around atoms of another stationary structure. Specifically, during a small step al...
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Bibliographische Detailangaben
| Veröffentlicht in: | Molecular physics. - 1993. - 121(2023), 9-10 vom: 22.
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| 1. Verfasser: |
Lander, Chance
(VerfasserIn) |
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| Weitere Verfasser: |
Satalkar, Vardhan,
Yang, Junjie,
Pan, Xiaoliang,
Pei, Zheng,
Chatterji, Aayushi,
Liu, Chungen,
Nicholas, Kenneth M,
Cichewicz, Robert H,
Yang, Zhibo,
Shao, Yihan |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2023
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| Zugriff auf das übergeordnete Werk: | Molecular physics
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| Schlagworte: | Journal Article |
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