An ab initio and density functional theory study on neutral pterin radicals
The electronic structures of the five radicals resulting from homolytic elimination of one of the hydrogen atoms from the most stable tautomeric form of neutral pterin were investigated in gas phase as well as in aqueous solution. Molecular wave functions obtained by density functional theory were a...
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| Format: | Article |
| Language: | English |
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De Gruyter
2015-12-01
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| Series: | Pteridines |
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| Online Access: | https://doi.org/10.1515/pterid-2015-0008 |