✦ LIBER ✦

Ab initio Study of the Mechanism and Thermochemistry of the Atmospheric Reaction NO + O3 → NO2 + O2.

✍ Scribed by Julio Peiro-Garcia; Ignacio Nebot-Gil

Publisher: John Wiley and Sons
Year: 2003
Weight: 61 KB
Volume: 34
Category: Article
ISSN: 0931-7597
DOI: 10.1002/chin.200302001

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

For Abstract see ChemInform Abstract in Full Text.

📜 SIMILAR VOLUMES

An Ab Initio Study on the Mechanism of t

An Ab Initio Study on the Mechanism of the Atmospheric Reaction NH2+O3→H2NO+O2

✍ Julio Peiró-García; Ignacio Nebot-Gil; Manuela Merchán 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 125 KB 👁 1 views

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

Mechanism of the OH–propene–O2 reaction:

Mechanism of the OH–propene–O2 reaction: An ab initio study

✍ Irina Díaz-Acosta; J. Raúl Alvarez-Idaboy; Annik Vivier-Bunge 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 172 KB 👁 2 views

The reaction of OH radicals with olefins is known to be important in atmospheric chemistry. From experimental data a global mechanism has been proposed, but the regioselectivity of the products is uncertain. In this work, the OH-propene-O 2 reaction has been studied with ab initio molecular orbital

Atmospheric chemistry of acetone: Kineti

Atmospheric chemistry of acetone: Kinetic study of the CH3C(O)CH2O2+NO/NO2 reactions and decomposition of CH3C(O)CH2O2NO2

✍ Jens Sehested; Lene K. Christensen; Ole J. Nielsen; Merete Bilde; Timothy J. Wal 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 290 KB 👁 2 views

Pulse radiolysis was used to study the kinetics of the reactions of CH 3 C(O)CH 2 O 2 radicals with NO and NO 2 at By monitoring the rate of formation and decay of NO 2 295 K. using its absorption at the rate constants 400 and 450 nm k(CH C(O)CH O ϩ NO) ϭ (8 Ϯ 3 2 2 and were de-Ϫ12 Ϫ12 3 Ϫ1 Ϫ1 2) ϫ

Ab initio and DFT Study of the Structura

Ab initio and DFT Study of the Structural Properties and Thermochemistry of CH3S(O)2OONO2 Atmospheric Molecule and CH3S(O)2OO· Radical

✍ Mao-Fa GE; Lin DU; Yan-Ping MA; Sheng-Gui HE 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 106 KB 👁 1 views

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