Simulant Molecules with Trivalent or Pentavalent Phosphorus Atoms: Bond Dissociation Energies and Other Thermodynamic and Structural Properties from Quantum Chemical Models

2011 ◽  
Vol 115 (30) ◽  
pp. 8532-8539 ◽  
Author(s):  
David K. Hahn ◽  
Krishans S. RaghuVeer ◽  
J. V. Ortiz
Keyword(s):  
Structural Properties ◽  
Quantum Chemical ◽  
Bond Dissociation Energies ◽  
Pentavalent Phosphorus ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Chemical Models ◽  
Quantum Chemical Models

Assessment of quantum chemical methods for the calculation of homolytic N–F bond dissociation energies

2016 ◽  
Vol 5-6 ◽  
pp. 28-35 ◽  
Author(s):  
Nuriya Akhmetova ◽  
Laura Kaliyeva ◽  
Robert J. O'Reilly
Keyword(s):  
Quantum Chemical ◽  
Bond Dissociation Energies ◽  
Chemical Methods ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Quantum Chemical Methods

Quantum chemical study of C–SH bond dissociation energies for some thiol compounds

2009 ◽  
Vol 909 (1-3) ◽  
pp. 9-12 ◽  
Author(s):  
Jun Zhao ◽  
Dahai Xu ◽  
Kunshi Zhang ◽  
Xinlu Cheng
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Bond Dissociation Energies ◽  
Thiol Compounds ◽  
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

Electron affinities of a homologous series of tertiary alkyl radicals and their C–H bond dissociation energies (BDEs)

Tetrahedron ◽  
2009 ◽  
Vol 65 (8) ◽  
pp. 1655-1659 ◽  
Author(s):  
Panayiotis S. Petrou ◽  
Athanassios V. Nicolaides
Keyword(s):  
Homologous Series ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Alkyl Radicals ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Tertiary Alkyl

scholarly journals Erratum: Revised Values of the O–O and the O–H Bond Dissociation Energies

1959 ◽  
Vol 30 (5) ◽  
pp. 1357-1357
Author(s):  
P. A. Giguère
Keyword(s):  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies
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