𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Complete basis set ab initio study of potential energy surfaces of the dissociation recombination reaction HCNH++e−

✍ Scribed by B.S Jursic


Book ID
114143479
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
155 KB
Volume
487
Category
Article
ISSN
0166-1280

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📜 SIMILAR VOLUMES


AB INITIO CALCULATIONS OF THE POTENTIAL
✍ Joseph J. Belbruno 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 170 KB 👁 2 views

Ab initio calculations, including electron correlation, were employed to compute the geometries and energies of all stable C 2 H 4 O species, as well as four transition states along the potential surfaces connecting oxirane to the unimolecular dissociation products. The calculations indicate that th