✍ Scribed by Lohr, Lawrence L.; Sloboda, Russell J.
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The mechanism of the formation of a2+ ions from b2+ ions occurring during fragmentation of protonated peptides is investigated using quantum chemical methods. The geometries of the stationary structures involved in two possible mechanisms, namely, a two-step mechanism via an open-chain acylium ion a
Systematic ab initio calculations were performed to reveal the mechanism of formation of stable b 2 ions formed during fragmentation of protonated peptides and proteins. Stable oxazolone-type cyclic b 2 ions are formed from parent ions containing the -C(O)-N-C-C(O)-unit in a two-step process. In the
## Abstract An __ab initio__ self‐consistent computation has been performed on the permanganate ion (MnO) in a large basis set of contracted gaussian functions. The ground state description as well as those of the first two excited states are discussed and compared with those obtained experimentall