Eliminating Systematic Errors in DFT via Connectivity-Based Hierarchy: Accurate Bond Dissociation Energies of Biodiesel Methyl Esters

2019 ◽  
Vol 123 (16) ◽  
pp. 3543-3550 ◽  
Author(s):  
Sibali Debnath ◽  
Arkajyoti Sengupta ◽  
Krishnan Raghavachari
Keyword(s):  
Methyl Esters ◽  
Systematic Errors ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies

scholarly journals Bond Dissociation Energies of C10 and C18 Methyl Esters from Local Multireference Averaged-Coupled Pair Functional Theory

2015 ◽  
Vol 119 (14) ◽  
pp. 3429-3439 ◽  
Author(s):  
Victor B. Oyeyemi ◽  
Johannes M. Dieterich ◽  
David B. Krisiloff ◽  
Ting Tan ◽  
Emily A. Carter
Keyword(s):  
Methyl Esters ◽  
Bond Dissociation Energies ◽  
Functional Theory ◽  
Bond Dissociation ◽  
Dissociation Energies

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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