Výsledky vyhledávání - "Bert E, Holmes"

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

Autor: George L. Heard, Mallory M. Rothrock, Blanton R. Gillespie, Bert E. Holmes, Anthony J. Ranieri, Melinda K. Schueneman, Donald W. Setser, Timothy M. Brown

Publikováno v: The Journal of Physical Chemistry A. 123:8776-8786

Chemical activation experiments and computational methods have been used to study the unimolecular reactions of C2H5CH2Br and C2D5CHFBr with 90 and 93 kcal mol–1 of vibrational energy, respectively...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3928cb3964ed0c80084e99e81a140c00
https://doi.org/10.1021/acs.jpca.9b07029

Zobrazit plný text záznamu

Experimental and Computational Studies of Unimolecular 1,1-HX (X = F, Cl) Elimination Reactions of C2D5CHFCl: Role of Carbene:HF and HCl Adducts in the Exit Channel of RCHFCl and RCHCl2 Reactions

Autor: Chaitanya A Patel, Blanton R. Gillespie, Bert E. Holmes, George L. Heard, Donald W. Setser, Mallory M. Rothrock

Publikováno v: The Journal of Physical Chemistry A. 123:2621-2633

The gas-phase unimolecular reactions of C2D5CHFCl molecules with 94 kcal mol-1 of vibrational energy have been studied by the chemical-activation experimental technique and by electronic-structure computations. Products from the reaction of C2D5CHFCl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9b2862a5311a0e57f3f9ef2e9cdb9e80
https://doi.org/10.1021/acs.jpca.9b00779

Zobrazit plný text záznamu

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

Autor: Matthew J. Nestler, Timothy M. Brown, Bert E. Holmes, George L. Heard, Donald W. Setser, Blanton R. Gillespie, Caleb A Smith

Publikováno v: The Journal of Physical Chemistry A. 122:8446-8457

The five unimolecular HX and DX (X = F, Cl) elimination pathways of CD2ClCHFCl* were examined using a chemical activation technique; the molecules were generated with 92 kcal mol–1 of vibrational energy in a room-temperature bath gas by a combinati

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::59551f185154fb4b5ed9ca4a425bfff6
https://doi.org/10.1021/acs.jpca.8b06680

Zobrazit plný text záznamu

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

Autor: Blanton R. Gillespie, Caleb A Smith, Donald W. Setser, George L. Heard, Bert E. Holmes

Publikováno v: The Journal of Physical Chemistry A. 121:8746-8756

The recombination of CF3 and CHF2 radicals in a room-temperature bath gas was used to prepare vibrationally excited CF3CHF2* molecules with 101 kcal mol–1 of vibrational energy. The subsequent 1,2-H atom transfer and 1,1-HF and 1,2-HF elimination r

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ac041eae78db62d63899a197e3ecdf4e
https://doi.org/10.1021/acs.jpca.7b06769

Zobrazit plný text záznamu

Computational study of the threshold energy for the 1,2-interchange of X and R (X, R = halogens, pseudohalogens, and monovalent hydrocarbon groups) on CH2XCH2R

Autor: Ju-Sung Kim, Bert E. Holmes, George L. Heard, Laura M. Brandt

Publikováno v: Canadian Journal of Chemistry. 94:1038-1043

Transition state geometries and threshold energies, E0, were computed for an unusual unimolecular isomerization reaction that exchanges two groups (X, R) on CH2XCH2R. An objective is to determine the most energetically feasible interchanges to guide

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::abc3ff799ef4a04df86e4c88187c4290
https://doi.org/10.1139/cjc-2016-0293

Zobrazit plný text záznamu

Unimolecular HBr and HF Elimination Reactions of Vibrationally Excited C

Autor: Timothy M, Brown, Blanton R, Gillespie, Mallory M, Rothrock, Anthony J, Ranieri, Melinda K, Schueneman, George L, Heard, Donald W, Setser, Bert E, Holmes

Publikováno v: The journal of physical chemistry. A. 123(41)

Chemical activation experiments and computational methods have been used to study the unimolecular reactions of C

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::403fe76f2750a4d742376f73ed513f81
https://pubmed.ncbi.nlm.nih.gov/31513404

Zobrazit plný text záznamu

Reinvestigation of the Unimolecular Reactions of CHF2CHF2: Identification of the 1,1-HF Elimination Component from Addition of :CFCHF2 to trans-2-Butene

Autor: Bert E. Holmes, Donald W. Setser, George L. Heard, Caleb A Smith

Publikováno v: The Journal of Physical Chemistry A. 120:9357-9362

The recombination of ·CHF2 radicals in a room-temperature bath gas was used to generate CHF2CHF2* (where * indicates vibrational excitation) molecules with 96 kcal mol–1 of vibrational energy. The CHF2CHF2* molecules decompose by four-centered 1,2

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b453c05003e070d77a881d2f35b14ddc
https://doi.org/10.1021/acs.jpca.6b07744

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání