Electronic structure effects on the double proton transfer reactions: a case study for substituted formic acid dimer
A comprehensive theoretical study to understand the changes in the electronic structures and their effects on promoter modes for double proton transfer reaction in bare and substituted formic acid dimer (FAD) is presented. In FAD, the dimer-stretch acts as a promoter mode which modulates the effecti...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-06-01
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| Series: | Chemical Physics Impact |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022424003463 |
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