Kinetics Database Resources
Simple Reaction Search
Search Reaction Database
Search Bibliographic Database
Set Unit Preferences
Rate Our Products and Services
NIST Standard Reference Data Program
NIST Chemistry Web Book
NDRL-NIST Solution Kinetics Database
NIST Computational Chemistry Comparison and Benchmark Database
The NIST Reference on Constants, Units, and Uncertainty
NIST home page
MML home page
Chemical Sciences Division
Qi, X.; Xue, H.; Xin, H.; Bai, Z.|
Quantum chemistry calculation of reaction pathways of carboxyl groups during coal self-heating
Can. J. Chem.
824 - 829
C6H5CH2C(O)O· → CO2 + Benzyl
no rate data available
Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. No rate constant values were calculated.
View full bibliographic record.