✦ LIBER ✦

Ab initio Molecular Orbital Study of the Mechanism of the Gas Phase Reaction SO3 + H2O: Importance of the Second Water Molecule

✍ Scribed by Morokuma, Keiji; Muguruma, Chizuru

Book ID: 127128530
Publisher: American Chemical Society
Year: 1994
Tongue: English
Weight: 199 KB
Volume: 116
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00101a068

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio molecular orbital study of OH−

Ab initio molecular orbital study of OH−(H2O)n in the gas phase

✍ Masao Masamura 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 160 KB 👁 2 views

Ab initio and DFT Study of the Molecular

Ab initio and DFT Study of the Molecular Mechanisms of SO3 and SOCl2 Reactions with Water in the Gas Phase.

✍ Stanislav K. Ignatov; Petr G. Sennikov; Alexey G. Razuvaev; Otto Schrems 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 54 KB 👁 2 views

Ab Initio Molecular Orbital Study of the

Ab Initio Molecular Orbital Study of the N( 2 D) + H 2 O Reaction

✍ Kurosaki, Yuzuru; Takayanagi, Toshiyuki 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 107 KB

Ab initio molecular orbital study of OH−

Ab initio molecular orbital study of OH−(H2O)n and SH−(H2O)n in the gas phase

✍ M. Masamura 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 127 KB

Ab initio molecular orbital study of the

Ab initio molecular orbital study of the mechanism of SO2 oxidation catalyzed by carbon

✍ Frances H. Yang; Ralph T. Yang 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 264 KB

Ab initio molecular orbital calculations were performed on the possible pathways of the carbon-catalyzed oxidation of SO by O / H O to form sulfuric acid. Both zigzag and armchair edge sites of graphite, with and without surface oxide, were 2 2 2 considered as the possible active sites. For the site

Structures and stabilities of gas-phase

Structures and stabilities of gas-phase C2H3O+ ions: an ab initio molecular orbital study

✍ Nobes, Ross H.; Bouma, Willem J.; Radom, Leo 📂 Article 📅 1983 🏛 American Chemical Society 🌐 English ⚖ 598 KB