Supplementary data for "Computational Investigation of RO2 + HO2 and RO2 + RO2 Reactions of Monoterpene Derived First-Generation Peroxy Radicals Leading to Radical Recycling", revised version submitted to J. Phys. Chem. A
No Thumbnail Available
Restricted Availability
Date
2018-09-21, 2018-09-21
Persistent identifier of the Data Catalogue metadata
Creator/contributor
Editor
Journal title
Journal volume
Publisher
Publication Type
dataset
dataset
dataset
Peer Review Status
Repositories
Access rights
Open
ISBN
ISSN
Description
log files (Gaussian 09) and out files (Orca 4.0)
(Note: Files_final.zip contains all the same log and out files as Files.zip, but also few additional structures added during the revision process, namely two additional RO2 from ocimene ozonolysis, and one additional transition state for a RO2 + HO2 reaction. Please ignore the file Files.zip.)