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The conformational stability of glyoxilic acid oxime (HOOC–CH–NOH) (GAO) and its anions has been studied by ab initio calculations at different levels of the theory, HF/6-311G ∗∗ , MP2/6-311G ∗∗ and B3LYP/6-311G ∗∗ . Geometry optimization was performed for 16 conformations of GAO and five anions in C s symmetry. The interconversion pathways for the four lowest energy...
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