✦ LIBER ✦

Ab Initio Calculations of Carbon-Containing Species and Comparison with Group Additivity Results. Part II. C 4 Species

✍ Scribed by Burcat, Alexander

Book ID: 127007858
Publisher: American Chemical Society
Year: 2009
Tongue: English
Weight: 113 KB
Volume: 54
Category: Article
ISSN: 0021-9568
DOI: 10.1021/je800862x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations of carbon-contain

Ab initio calculations of carbon-containing species and comparison with group additivity results: Part I. C5 species

✍ Alexander Burcat 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB

## Abstract Twenty‐six C~5~ compounds and radicals related to combustion processes have been calculated using the ab initio G3//B3LYP method using the atomization enthalpy analysis. The results have been compared to group additivity estimates and literature values where available. Three different g

Vibrational frequencies of the isoelectr

Vibrational frequencies of the isoelectronic tetrahedral species GeF4 and AsF4+. Comparison of experimental data with results from ab initio and density functional theory

✍ Axel Schulz; Thomas M Klapötke 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 239 KB

Structural changes as a function of tors

Structural changes as a function of torsional motion studied by ab initio calculations part 4. The dependence of the dynamic behavior of the structural parameters for H2O2 and H2S2 on basis sets and comparison with experimental results

✍ Svein Samdal; Vladimir S. Mastryukov; James E. Boggs 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 356 KB