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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)
Author(s) -
Kaufman Joyce J.,
Hariharan P. C.,
Roszak Szczepan,
Keegstra P. B.
Publication year - 1987
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560320808
Subject(s) - protonation , oxetane , chemistry , computational chemistry , polymer chemistry , organic chemistry , ion