Publications by authors named "Bert E Holmes"

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Unimolecular HBr and HF Elimination Reactions of Vibrationally Excited CHCHBr and CDCHFBr: Identification of the 1,1-HBr Elimination Reaction from CDCHFBr and Search for the CD(F)C:HBr Adduct.
Timothy M Brown, Blanton R Gillespie, Mallory M Rothrock, Anthony J Ranieri, Melinda K Schueneman, Bert E Holmes

J Phys Chem A· October 2019

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Experimental and Computational Studies of Unimolecular 1,1-HX (X = F, Cl) Elimination Reactions of CDCHFCl: Role of Carbene:HF and HCl Adducts in the Exit Channel of RCHFCl and RCHCl Reactions.
Blanton R Gillespie, Chaitanya A Patel, Mallory M Rothrock, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· April 2019

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Analysis of the Five Unimolecular Reaction Pathways of CDClCHFCl with Emphasis on CDCl(F)C: and CDCl(Cl)C: Formed by 1,1-HCl and 1,1-HF Elimination.
Timothy M Brown, Blanton R Gillespie, Caleb A Smith, Matthew J Nestler, George L Heard, Bert E Holmes

J Phys Chem A· November 2018

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The Unimolecular Reactions of CFCHF 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.
Caleb A Smith, Blanton R Gillespie, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· November 2017

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Reinvestigation of the Unimolecular Reactions of CHFCHF: Identification of the 1,1-HF Elimination Component from Addition of :CFCHF to trans-2-Butene.
Caleb A Smith, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· December 2016

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Chemical Activation Study of the Unimolecular Reactions of CDCDCHCl and CHClCHCl with Analysis of the 1,1-HCl Elimination Pathway.
Allie C Larkin, Matthew J Nestler, Caleb A Smith, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· October 2016

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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.
Timothy M Brown, Matthew J Nestler, Samuel M Rossabi, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· September 2015

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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.
Leah N Wormack, Meghan E McGreal, Corey E McClintock, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· April 2015

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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.
Martha A Turpin, Kylie C Smith, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· October 2014

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Effects of CF(3) and CH(3) groups on the threshold energy for the unimolecular interchange reaction of Cl- and F-atoms in CF(3)CHFCH(2)Cl and CH(3)CHFCH(2)Cl.
Corey E McClintock, Kylie C Smith, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· April 2014

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Unimolecular isomerization of CH2FCD2Cl via the interchange of Cl and F atoms: assignment of the threshold energy to the 1,2-dyotropic rearrangement.
Mary K Tucker, Samuel M Rossabi, Corey E McClintock, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· August 2013

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Isomerisation of CF2ClCH2Cl and CFCl2CH2F by interchange of Cl and F atoms with analysis of the unimolecular reactions of both molecules.
Sarah A Solaka, Sara E Boshamer, Caroline L Parworth, George L Heard, D W Setser, Bert E Holmes

Chemphyschem· February 2012

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QTAIM analysis of the HF, HCl, HBr, and HOH elimination reactions of halohydrocarbons and halohydroalcohols.
Caroline L Parworth, Mary K Tucker, Bert E Holmes, George L Heard

J Phys Chem A· November 2011

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Unimolecular reactions in the CF3CH2Cl ↔ CF2ClCH2F system: isomerization by interchange of Cl and F atoms.
Erin C Enstice, Juliana R Duncan, D W Setser, Bert E Holmes

J Phys Chem A· February 2011

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Theoretical investigation of 1,2-interchange of a chlorine atom and methyl group in 1,1-dichloroacetone.
Juliana R Duncan, George L Heard, Bert E Holmes

J Phys Chem A· December 2010

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Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-interchange of a halogen atom and a methyl group.
Carmen E Lisowski, Juliana R Duncan, Anthony J Ranieri, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· September 2010

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Unimolecular rate constant and threshold energy for the HF elimination from chemically activated CF3CHFCF3.
Juliana R Duncan, Michael S Roach, Brooke Sibila Stiles, Bert E Holmes

J Phys Chem A· July 2010

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Unimolecular reactions of CH(2)BrCH(2)Br, CH(2)BrCH(2)Cl, and CH(2)BrCD(2)Cl: identification of the Cl-Br interchange reaction.
Laura Friederich, Juliana R Duncan, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· April 2010

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Unimolecular HCl and HF elimination reactions of 1,2-dichloroethane, 1,2-difluoroethane, and 1,2-chlorofluoroethane: assignment of threshold energies.
Juliana R Duncan, Sarah A Solaka, D W Setser, Bert E Holmes

J Phys Chem A· January 2010

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Characterization of the unimolecular water elimination reaction from 1-propanol, 3,3,3-propan-1-ol-d3, 3,3,3-trifluoropropan-1-ol, and 3-chloropropan-1-ol.
Heather A Ferguson, Caroline L Parworth, Traci Berry Holloway, Aaron G Midgett, George L Heard, Bert E Holmes

J Phys Chem A· September 2009

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Unimolecular reactions of CF2ClCFClCH2F and CF2ClCF2CH2Cl: observation of ClF interchange.
Oksana Zaluzhna, Jay G Simmons, D W Setser, Bert E Holmes

J Phys Chem A· November 2008

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Unimolecular elimination of HF and HCl from chemically activated CF3CFClCH2Cl.
Oksana Zaluzhna, Jay G Simmons, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· July 2008

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Unimolecular reactions of chemically activated CF2BrCF2CH3 and CF2BrCF2CD3: evidence for 1,2-FBr interchange.
Carmen E Lisowski, Juliana R Duncan, George L Heard, Donald W Setser, Bert E Holmes

J Phys Chem A· January 2008

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Unimolecular reactions including ClF interchange of vibrationally excited CF2ClCHFCH2CH3 and CF2ClCHFCD2CD3.
Melinda R Beaver, J G Simmons, George L Heard, D W Setser, Bert E Holmes

J Phys Chem A· August 2007

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Unimolecular rate constants, kinetic isotope effects and threshold energies for FH and FD elimination from CF3CHFCH3 and CF3CHFCD3.
Doug A Holmes, Bert E Holmes

J Phys Chem A· December 2005

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