𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Proton affinity of peroxyacetyl nitrate. A computational study of topical proton affinities

✍ Scribed by František Tureček


Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
167 KB
Volume
35
Category
Article
ISSN
1076-5174

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Proton affinity of peroxyacetyl nitrate
✍ N. Srinivasan; R. G. Cooks; P. B. Shepson 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 184 KB 👁 1 views

Peroxyacetyl nitrate (PAN) is a fragile, highly reactive molecule which has proven difficult to characterize by mass spectrometry. This study investigates the use of a membrane introduction system to sample PAN and demonstrates that the molecular ions [MH] , [MH] À and M À \* can be generated under

A molecular orbital study of protonation
✍ Janet E. Del Bene 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 380 KB

this study, an evaluation has been made of the performance of the minimal STO-3G and the extended 4-3 iG basis sets, and of the effect of the rigid monomer r&riction in the calculation of the relative proton affinities of the bases H2C0, CH&HO, and HCOOH. The best agreement between the computed and

Density functional computations of proto
✍ T. Marino; N. Russo; E. Tocci; M. Toscano 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 211 KB

## Abstract An Erratum has been published for this article in Journal of Mass Spectrometry 37(2) 2002, 232. The proton affinity and gas‐phase basicity of proline were evaluated by using density functional theory coupling the B3‐LYP hybrid functional with the extended 6–311++G\*\* basis set. __Cis_