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A high-level ab initio study of the N 2 + N 2 reaction channel

โœ Scribed by Pacifici, Leonardo; Verdicchio, Marco; Lago, Noelia Faginas; Lombardi, Andrea; Costantini, Alessandro


Book ID
121822372
Publisher
John Wiley and Sons
Year
2013
Tongue
English
Weight
759 KB
Volume
34
Category
Article
ISSN
0192-8651

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๐Ÿ“œ SIMILAR VOLUMES


Ab initio study of additivity. 2
โœ McKee, M. L.; Lipscomb, William N. ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› American Chemical Society ๐ŸŒ English โš– 417 KB
High-level ab initio calculations on CH+
โœ M. Esseffar; A. Luna; O. Mรณ; M. Yรกรฑez ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 526 KB

We present ah initio calculations carried out in the framework of the G2 theory on the singlet and triplet potential energy surfaces corresponding to the gas-phase between CH; and PO. The global minimum of both potential energy surfaces is a cyclic singlet-state cation. Oxygen attachment of PO to CH