Ab Intitio MRD-CI calculations on protonated cyclic ethers. I. Protonation pathways involve multipotential surfaces (protonation of oxetane). II. Differences from SCF in dominant configurations upon opening non-protonated oxirane rings (epoxides)

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Ab Intitio MRD-CI calculations on protonated cyclic ethers. I. Protonation pathways involve multipotential surfaces (protonation of oxetane). II. Differences from SCF in dominant configurations upon opening non-protonated oxirane rings (epoxides)

Cited by 2 publications

References 16 publications

MRD‐CI calculations of proton affinity within the ab initio method for approximation of the frozen molecular fragment

MRD‐CI calculations of proton affinity within the ab initio method for approximation of the frozen molecular fragment

Ab initio MRD CI ground and excited state potential curves for addition of O to H2CCH2 and oxirane formation and decomposition

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