Ground states of molecules. XXII. Incorporation of partial configuration interaction in MINDO [modified intermediate neglect of differential overlap]/2 and its application to bond dissociation energies and sigmatropic rearrangements

1972 ◽  
Vol 94 (26) ◽  
pp. 9107-9112 ◽  
Author(s):  
Richard C. Bingham ◽  
Michael J. S. Dewar
Keyword(s):  
Configuration Interaction ◽  
Ground States ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Sigmatropic Rearrangements ◽  
Neglect Of Differential Overlap

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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