Probing Non-Covalent Interactions through Molecular Balances: A REG-IQA Study
The interaction energies of two series of molecular balances (1-X with X = H, Me, OMe, NMe<sub>2</sub> and 2-Y with Y = H, CN, NO<sub>2</sub>, OMe, NMe<sub>2</sub>) designed to probe carbonyl…carbonyl interactions were analysed at the B3LYP/6-311++G(d,p)-D3 level...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-02-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/29/5/1043 |