| 1 |
Experimental and Computational Studies of Unimolecular 1,1-HX (X = F, Cl) Elimination Reactions of C2D5 CHFCl: Role of Carbene:HF and HCl Adducts in the Exit Channel of RCHFCl and RCHCl2 Reactions
Gillespie BR, Patel CA, Rothrock MM, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 123(13), 2621, 2019 |
| 2 |
Unimolecular HBr and HF Elimination Reactions of Vibrationally Excited C2H5CH2Br and C2D5CHFBr: Identification of the 1,1-HBr Elimination Reaction from C2D5CHFBr and Search for the C2D5(F)C:HBr Adduct
Brown TM, Gillespie BR, Rothrock MM, Ranieri AJ, Schueneman MK, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 123(41), 8776, 2019 |
| 3 |
Analysis of the Five Unimolecular Reaction Pathways of CD2ClCHFCl with Emphasis on CD2Cl(F)C: and CD2Cl(Cl)C: Formed by 1,1-HCl and 1,1-HF Elimination
Brown TM, Gillespie BR, Smith CA, Nestler MJ, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 122(43), 8446, 2018 |
| 4 |
The Unimolecular Reactions of CF3CHF2 Studied by Chemical Activation: Assignment of Rate Constants and Threshold Energies to the 1,2-H Atom Transfer, 1,1-HF and 1,2-HF Elimination Reactions, and the Dependence of Threshold Energies on the Number of F-Atom Substituents in the Fluoroethane Molecules
Smith CA, Gillespie BR, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 121(46), 8746, 2017 |
| 5 |
Chemical Activation Study of the Unimolecular Reactions of CD3CD2CHCl2 and CHCl2CHCl2 with Analysis of the 1,1-HCl Elimination Pathway
Larkin AC, Nestler MJ, Smith CA, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 120(42), 8244, 2016 |
| 6 |
Reinvestigation of the Unimolecular Reactions of CHF2CHF2: Identification of the 1,1-HF Elimination Component from Addition of :CFCHF2 to trans-2-Butene
Smith CA, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 120(47), 9357, 2016 |
| 7 |
Characterization of the 1,1-HCl Elimination Reaction of Vibrationally Excited CD3CHFCl Molecules and Assignment of Threshold Energies for 1,1-HCl and 1,2-DCl plus 1,1-HF and 1,2-DF Elimination Reactions
Brown TM, Nestler MJ, Rossabi SM, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 119(36), 9441, 2015 |
| 8 |
Characterization of the 1,1-HF Elimination Reaction from the Competition between the 1,1-HF and 1,2-DF Unimolecular Elimination Reactions of CD3CD2CHF2
Wormack LN, McGreal ME, McClintock CE, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 119(17), 3887, 2015 |
| 9 |
Effects of CF3 and CH3 Groups on the Threshold Energy for the Unimolecular Interchange Reaction of Cl- and F-Atoms in CF3CHFCH2Cl and CH3CHFCH2Cl
McClintock CE, Smith KC, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 118(16), 2886, 2014 |
| 10 |
Unimolecular Reactions of 1,1,1-Trichloroethane, 1,1,1-Trichloropropane, and 3,3,3-Trifluoro-1,1,1-trichloropropane: Determination of Threshold Energies by Chemical Activation
Turpin MA, Smith KC, Heard GL, Setser DW, Holmes BE
Journal of Physical Chemistry A, 118(40), 9347, 2014 |
