Accurate torsional potentials in conjugated systems: ab initio and density functional calculations on 1,3-butadiene and monohalogenated butadienes

Author: Karpfen Alfred   Parasuk Vudhichai  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.102, Iss.8, 2004-04, pp. : 819-826

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Abstract