QT-AIM analysis of neutral pterin and its anionic and cationic forms
Quantum theory of atoms in molecules (QT-AIM) allows detailed insight into the electronic structure of molecules by analysis of the gradient vector field of the electronic density distribution function. First results of a QT-AIM analysis of neutral pterin as well as its anionic and cationic forms in...
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| Format: | Article |
| Language: | English |
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De Gruyter
2014-07-01
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| Series: | Pteridines |
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| Online Access: | https://doi.org/10.1515/pteridines-2014-0005 |