✦ LIBER ✦

Ab Initio Study of the Initial Reactions in Silane Combustion: SiH3 + O2 .fwdarw. Products

✍ Scribed by Schlegel, H. Bernhard; Darling, Cynthia L.

Book ID: 115461618
Publisher: American Chemical Society
Year: 1994
Tongue: English
Weight: 468 KB
Volume: 98
Category: Article
ISSN: 0022-3654
DOI: 10.1021/j100087a016

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio study of the insertion reac

An ab initio study of the insertion reaction silylene (SiH2(1Aa)) + hydrogen .fwdarw. silane

✍ Sax, Alexander; Olbrich, Gottfried 📂 Article 📅 1985 🏛 American Chemical Society 🌐 English ⚖ 875 KB

Ab initio study of the mechanism of the

Ab initio study of the mechanism of the atmospheric reaction: NO2 + O3 → NO3 + O2

✍ Julio Peiró-García; Ignacio Nebot-Gil 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 146 KB 👁 1 views

## Abstract The atmospheric reaction NO~2~ + O~3~ → NO~3~ + O~2~ (1) has been investigated theoretically by using the MP2, G2, G2Q, QCISD, QCISD(T), CCSD(T), CASSCF, and CASPT2 methods with various basis sets. The results show that the reaction pathway can be divided in two different parts at the M

An Ab initio study of reactions in the H

An Ab initio study of reactions in the H3BO3/B2O3/H2O system

✍ V. G. Slutskii; E. S. Severin; L. A. Polenov 📂 Article 📅 2007 🏛 Pleiades Publishing 🌐 English ⚖ 249 KB

Ab Initio Study on the Mechanism of the

Ab Initio Study on the Mechanism of the Atmospheric Reaction OH+O3→HO2+O2

✍ Julio Peiró-García; Ignacio Nebot-Gil 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 112 KB 👁 1 views

Ab Initio and DFT Direct Dynamics Studie

Ab Initio and DFT Direct Dynamics Studies on the Reaction Path and Rate Constant of the Hydrogen Abstraction Reaction: SiH 3 F + H → SiH 2 F + H 2

✍ Li, Shen-Min; Yu, Xin; Xu, Zhen-Feng; Li, Ze-Sheng; Sun, Chia-Chung 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 80 KB

Ab initio study of the reaction of CHO+

Ab initio study of the reaction of CHO+ with H2O and NH3

✍ L�pez, R.; Del R�o, E.; Men�ndez, M. I.; Sordo, T. L. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 352 KB 👁 1 views

An MP4 full,SDTQ r6-311qqG d,p rrMP2 full r6-311qq Ž . G d,p ab initio study was performed of the reactions of formyl and isoformyl cations with H O and NH , which play an important role in flame and 2 3 interstellar chemistries. Two different confluent channels were located leading to CO q H O q r