DFT analysis of intermolecular and intramolecular double proton transfer during the condensation process of 4-pyridinecarboxaldehyde with isomers of aminobenzoic acid
To understand in detail the double proton transfer in the condensation reaction of 4-pyridinecarboxaldehyde with isomers of aminobenzoic acid (in the gas phase and in solvent), the dynamic mechanism was studied using the DFT method implemented in the GAUSSIAN 09 program and the 6-31G basis set. All...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
"Ion Creanga" State Pedagogical University
2024-10-01
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| Series: | Acta et Commentationes: Ştiinţe Exacte şi ale Naturii |
| Subjects: | |
| Online Access: | https://revistaust.upsc.md/index.php/acta_exacte/article/view/1017 |
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