Chemically Accurate Calculations of Rate Constants of Spin Trap-Hydroxyl Radical Addition Reactions

Chemically Accurate Calculations of Rate Constants of Spin Trap-Hydroxyl Radical Addition Reactions

The DMPO type spin trap 5,5-Dimethyl-1-pyrroline N-oxide (DMPO) and the exceptionally similar spin trap 2-ethoxycarbonyl-2-methyl-3,4-dihydro-2H-pyrrole-l-oxide (EMPO) are widely studied in computational and theoretical works. This particular study examines the addition reactions that both these mol...

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Bibliographic Details
Main Author: Short, Hayden B
Format: Others
Published: Digital Commons @ East Tennessee State University 2015
Subjects:
Spin Traps
Rate Constant
Correlation Consistent Composite Approach
ccCA
Quantum Mechanics
Schrödinger Equation
DMPO
EMPO
Hydroxyl Radical
Chemistry
Physical Chemistry
Online Access:https://dc.etsu.edu/honors/252
https://dc.etsu.edu/cgi/viewcontent.cgi?article=1306&context=honors

Internet

https://dc.etsu.edu/honors/252
https://dc.etsu.edu/cgi/viewcontent.cgi?article=1306&context=honors

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