Browsing by Subject "Quantum Chemistry"
Now showing items 1-2 of 2
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(2018-06-18)Organophosphorus compounds (OPCs) have significant fire suppression capabilities but are not well understood. Chemical kinetics mechanisms can provide invaluable information about how OPCs suppress flames; however, the ...
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(2021-04-26)With the rapid development of computing technologies and the continuous improvements in quantum mechanical methods, modern computational chemistry has emerged as an indispensable tool in predicting transition-metal mechanisms ...