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Two-State Three-Mode Parameterization of the Force Field of a Retinal Chromophore Model
In recent years the potential energy surfaces of the penta-2,4-dieniminium cation have been investigated using several electronic structure methods. The resulting pool of geometrical, electronic and energy data, provides a suitable basis for the construction of a topographically correct analytical m...
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| Udgivet i: | J Phys Chem A |
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| Main Authors: | , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2019
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7147463/ https://ncbi.nlm.nih.gov/pubmed/30753077 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.8b10010 |
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