Effect of an external electric field and a neighbouring atom on the torsional potential of glyoxal: A computational study
Torsional potential of glyoxal was studied under the presence of an external electric field at the MP2/TZ2P + f level. Without an external electric field, the trans conformer is more stable than the cis conformer by 4.51 kcal/mol. The cis conformer which points two hydrogens in the field direction i...
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| Format: | Article |
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2018
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| Online Access: | https://repository.li.mahidol.ac.th/handle/123456789/20739 |
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| Institution: | Mahidol University |