𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the gas-phase ethane C–H and C–C bonds activation by bare niobium cation

✍ Scribed by M. C. Michelini; I. Rivalta; E. Sicilia

Publisher
Springer
Year
2008
Tongue
English
Weight
518 KB
Volume
120
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Combined experimental and theoretical st
Combined experimental and theoretical study of the C-H bond strength and the gas phase acidity of triacetylene, C6H2, and the electron affinity of the C6H. radical
✍ Johannes Natterer; Wolfram Koch; Detlef Schröder; Norman Goldberg; Helmut Schwar 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 670 KB

The thermochemistry of triacetylene, &H,, the corresponding neutral triacetylide radical, &H', and the triacetylide anion, C6H-, has been evaluated by combining mass spectrometric means with high-level ab initio MO calculations at the CCSD(T) level. Experimentally, the ion/molecule bracketing method

Theoretical study of the CH bond dissoc
Theoretical study of the CH bond dissociation energies of CH4, C2H2, C2H4, and H2C2O
✍ Charles W. Bauschlicher Jr.; Stephen R. Langhoff 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 554 KB

The successive C-H bond dissociation energies of CH,, &Hz. C2H4, and H&O (ketene) are determined using large basis sets and a high level of correlation treatment. For CHI, C2H2, and C2H4 the computed values are in excellent agreement with experiment. Using our results we recommend 107.9 +2.0 and 96.

A theoretical study of the energetics of
A theoretical study of the energetics of insertion of dicarbon (C2) and vinylidene into methane CH bonds
✍ David A. Horner; Larry A. Curtiss; Dieter M. Gruen 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 392 KB

The insertion of dicarbon (C 2) and vinylidene into methane C-H bonds was studied using ab initio molecular orbital theory. The reactions are simple models for thin film diamond growth in which C 2 is the principal growth species. The results of this study suggest that reaction of C 2 with a diamond