✦ LIBER ✦

Molecular mechanism of thermal decomposition of fluoronitroazoxy compounds: DFT computational study

✍ Scribed by Jasiński, Radomir

Book ID: 121497045
Publisher: Elsevier Science
Year: 2014
Tongue: English
Weight: 293 KB
Volume: 160
Category: Article
ISSN: 0022-1139
DOI: 10.1016/j.jfluchem.2014.01.007

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Thermal decomposition of 2-phenylethanol

Thermal decomposition of 2-phenylethanol: A computational study on mechanism

✍ Sakai, Yasuyuki; Ando, Hiromitsu; Oguchi, Tatsuo; Murakami, Yoshinori 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 662 KB

Mechanism of Thermal Unimolecular Decomp

Mechanism of Thermal Unimolecular Decomposition of TNT (2,4,6-Trinitrotoluene): A DFT Study

✍ Cohen, Revital; Zeiri, Yehuda; Wurzberg, Elhanan; Kosloff, Ronnie 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 380 KB

Thermal unimolecular decomposition mecha

Thermal unimolecular decomposition mechanism of 2,4,6-trinitrotoluene: a first-principles DFT study

✍ Xiao-Fang Chen; Ji-Feng Liu; Zi-Hui Meng; Ke-Li Han 📂 Article 📅 2010 🏛 Springer 🌐 English ⚖ 941 KB

The Mechanism of Unimolecular Decomposit

The Mechanism of Unimolecular Decomposition of 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane. A Computational DFT Study

✍ Okovytyy, Sergiy; Kholod, Yana; Qasim, Mohammad; Fredrickson, Herbert; Leszczyns 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 252 KB

Mechanisms of Thermal Decompositions of

Mechanisms of Thermal Decompositions of Polysulfones: A DFT and CBS-QB3 Study

✍ Zhao, Yi-Lei; Jones, Walter H.; Monnat, Frédéric; Wudl, Fred; Houk, K. N. 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 208 KB

Molecular orbital studies of the thermal

Molecular orbital studies of the thermal decomposition mechanism of dimethylnitramine

✍ Yue Ling; Ze-Hua Tang; He-Ming Xiao 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 301 KB

## Abstract The electronic structures of dimethylnitramine (DMNA) were calculated using ab initio Gaussian 80 program at the Hartree‐Fock level with STO‐3G and STO‐4‐21G basis set, respectively. The Mulliken bond order of the NNO~2~ bond is the least one in comparision with those of the other bond