✦ LIBER ✦

Protonation of nitric acid and formation of NO2 +. An Ab initio study

✍ Scribed by Nguyen, Minh-Tho; Hegarty, Anthony F.

Book ID: 120200708
Publisher: Royal Society of Chemistry
Year: 1984
Tongue: English
Weight: 321 KB
Volume: 12
Category: Article
ISSN: 1472-779X
DOI: 10.1039/P29840002043

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio study of SiC2 protonation

✍ J.R. Flores; A. Largo-Cabrerizo; J. Largo-Cabrerizo 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 739 KB

An ab initio study of Si2C protonation

✍ A. Largo-Cabrerizo; J.R. Flores 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 428 KB

An ab initio study of C2S protonation

✍ Carmen Barrientos; Antonio Largo 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 583 KB

An ab initio study of Si3 protonation

✍ A. Largo-Cabrerizo 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 403 KB

An ab initio study of the low-lying states of protonated Sis was carried out at the HF/6-31G\*\* level. Five states were studied: 'A, ( I), 'A, (2), 'C+, 'A' and 'B,. 'A,(2) and 'Z+ were found to he transition states at the Hanree-Foek level. 'A' and 'B2 are the two possible candidates for the groun

Formation of a2+ ions of protonated pept

Formation of a2+ ions of protonated peptides. An ab initio study

✍ Béla Paizs; Zoltán Szlávik; György Lendvay; Károly Vékey; Sándor Suhai 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 288 KB 👁 1 views

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

Formation of b2+ ions from protonated pe

Formation of b2+ ions from protonated peptides: an ab initio study

✍ Béla Paizs; György Lendvay; Károly Vékey; Sándor Suhai 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 189 KB 👁 1 views

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