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Molecular structure,conformation, and large amplitude motion of barbituric acid as studied by gas-phase electron diffraction and quantum chemical calculations |
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| Authors: | Dorofeeva Olga V. Marochkin Ilya I. Karasev Nikolai M. Shishkov Igor F. Oberhammer Heinz |
| Affiliation: | 1.Department of Chemistry, M.V. Lomonosov Moscow State University, 119991, Moscow, Russia ;2.Institut für Physikalische und Theoretische Chemie, Universit?t Tübingen, 72076, Tübingen, Germany ; |
| Abstract: | Structural Chemistry - B3LYP and MP2(Full) calculations with large basis sets predict the planar equilibrium structure of barbituric acid and reveal large amplitude ring puckering motion which is... |
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