Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons

2014 ◽  
Vol 140 (4) ◽  
pp. 044317 ◽  
Author(s):  
Victor B. Oyeyemi ◽  
David B. Krisiloff ◽  
John A. Keith ◽  
Florian Libisch ◽  
Michele Pavone ◽  
...  
Keyword(s):  
Configuration Interaction ◽  
Bond Dissociation Energies ◽  
Oxygenated Hydrocarbons ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Size Extensivity

scholarly journals Experimental bond dissociation energies of benzylpyridinium thermometer ions determined by threshold-CID and RRKM modeling

2017 ◽  
Vol 417 ◽  
pp. 69-75 ◽  
Author(s):  
David Gatineau ◽  
Antony Memboeuf ◽  
Anne Milet ◽  
Richard B. Cole ◽  
Héloïse Dossmann ◽  
...  
Keyword(s):  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Thermometer Ions
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