Hydrogen abstraction from n-butanol by the methyl radical: high level ab initio study of abstraction pathways and the importance of low energy rotational conformers

Journal article

Peer reviewed

D KATSIKADAKOS, Y HARDALUPAS, A. M. K. P TAYLOR and P. A HUNT

Physical chemistry chemical physics : PCCP, Vol.14(27), pp.9615-9629

2012

Handle:

https://hdl.handle.net/2376/112714

PMID: 22692370

Abstract

Chemistry

General and physical chemistry

Exact sciences and technology

10 Record Views

Title: Hydrogen abstraction from n-butanol by the methyl radical: high level ab initio study of abstraction pathways and the importance of low energy rotational conformers
Creators: D KATSIKADAKOS - Mechanical Engineering Department, Imperial College London, SW7 2AZ, London, United Kingdom
Y HARDALUPAS - Mechanical Engineering Department, Imperial College London, SW7 2AZ, London, United Kingdom
A. M. K. P TAYLOR - Mechanical Engineering Department, Imperial College London, SW7 2AZ, London, United Kingdom
P. A HUNT - Chemistry Department, Imperial College London, SW7 2AZ, London, United Kingdom
Publication Details: Physical chemistry chemical physics : PCCP, Vol.14(27), pp.9615-9629
Academic Unit: Molecular Biosciences, School of
Publisher: Royal Society of Chemistry; Cambridge
Identifiers: 99900547900401842
Language: English
Resource Type: Journal article