首页 | 本学科首页   官方微博 | 高级检索  
     


The O + O2 reaction: quantum detailed probabilities and thermal rate coefficients
Authors:Sergio Rampino  Dimitris Skouteris  Antonio Laganà
Affiliation:1. Dipartimento di Chimica, Università di Perugia, Via Elce di Sotto 8, 06123, Perugia, Italy
2. Dipartimento di Matematica e Informatica, Università di Perugia, Via Vanvitelli 1, 06123, Perugia, Italy
Abstract:The detailed quantum probabilities of the O + O2 reactive system have been computed at zero total angular momentum using the time-independent quantum program ABC thanks to the restructuring of the code and its implementation on the EGEE production Grid. Their main features are discussed and out of them J-shifting thermal rate coefficients have been computed to compare with the experiment and quasiclassical trajectory results over a wide range of temperatures.
Keywords:
本文献已被 SpringerLink 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号