✦ LIBER ✦

Ab initio characterization of XH3(X=N, P). I. Ammonia, phosphine and their related ions and radicals: structure and thermochemistry

✍ Scribed by Cristina Puzzarini

Book ID: 105886214
Publisher: Springer
Year: 2008
Tongue: English
Weight: 191 KB
Volume: 120
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s00214-008-0436-5

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio characterization of XH3(X = N,

Ab initio characterization of XH3(X = N,P). Part II. Electric, magnetic and spectroscopic properties of ammonia and phosphine

✍ Cristina Puzzarini 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 207 KB

Electronic structure and physical proper

Electronic structure and physical properties of MiXi clusters (M = B, Al; X = N, P; i = 1, 2, 3): Ab initio study

✍ Milan Ončák; Martin Srnec 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 723 KB

## Abstract __Ab initio__ calculations of structural stability and properties of selected IIIa–Va monomers (BN, BP, AlN, AlP), and dimers and trimers thereof are presented. It was demonstrated that multireference methods are needed for an appropriate description of the electronic structure of the d