Exploring the Relationship between Reactivity and Electronic Structure in Isorhodanine Derivatives Using Computer Simulations
The electronic structure and reactivity of 22 isorhodanine (IsRd) derivatives in the Diels–Alder reaction with dimethyl maleate (DMm) were investigated under two different environments (gas phase and continuous solvent <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML&quo...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-03-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/28/5/2360 |