Výsledky vyhledávání - "George L, Heard"

Insights Gained into Marginalized Students Access Challenges During the COVID-19 Academic Response

Autor: J. Lynn Gazley, Ann C. Kimble-Hill, Michael R. Adams, George L. Heard, Wasiu A. Lawal, Benjamin Fiore-Walker, Sheryl Gonzalez, Armando Rivera-Figueroa, Benny C. Chan

Publikováno v: Journal of Chemical Education

The American Chemical Society (ACS) Committee on Minority Affairs (CMA) endeavors to support all chemistry faculty and staff as they educate all of our students during this pandemic. While the chem...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24a3d1a6bda5c546c3642e8cf80ebfae
https://doi.org/10.1021/acs.jchemed.0c00774

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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

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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

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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

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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

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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

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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

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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

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Chemical Activation Study of the Unimolecular Reactions of CD3CD2CHCl2 and CHCl2CHCl2 with Analysis of the 1,1-HCl Elimination Pathway

Autor: Donald W. Setser, Caleb A Smith, George L. Heard, Bert E. Holmes, Allie C. Larkin, Matthew J. Nestler

Publikováno v: The Journal of Physical Chemistry A. 120:8244-8253

Chemically activated C2D5CHCl2 molecules were generated with 88 kcal mol–1 of vibrational energy by the recombination of C2D5 and CHCl2 radicals in a room temperature bath gas. The competing 2,1-DCl and 1,1-HCl unimolecular reactions were identifie

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::617276597ef528fd52e880ced99661f5
https://doi.org/10.1021/acs.jpca.6b07368

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