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Temperature and pressure dependent rate constants of the reactions of OH• with cyclopentene from variational TST and SS-QRRK methods.
J Chem Phys. 2022 Dec 7;157(21):214303. doi: 10.1063/5.0128823.
J Chem Phys. 2022.
PMID: 36511526
Assessing the Molecular Basis of the Fuel Octane Scale: A Detailed Investigation on the Rate Controlling Steps of the Autoignition of Heptane and Isooctane.
Monteiro JGS, Barbosa AGH, Henriques AM, Neves PHG, Furtado RS, Menezes RM, Dos Santos AR, Fleming FP.
Monteiro JGS, et al. Among authors: barbosa agh.
J Phys Chem A. 2018 Jan 18;122(2):610-630. doi: 10.1021/acs.jpca.7b08521. Epub 2018 Jan 5.
J Phys Chem A. 2018.
PMID: 29257685
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Reply to "Comment on 'Nature of the chemical bond in protonated methane'".
Fleming FP, Barbosa AG, Esteves PM.
Fleming FP, et al.
J Phys Chem A. 2007 Apr 19;111(15):2971. doi: 10.1021/jp0685131. Epub 2007 Mar 23.
J Phys Chem A. 2007.
PMID: 17388397
No abstract available.
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Nature of the chemical bond in protonated methane.
Fleming FP, Barbosa AG, Esteves PM.
Fleming FP, et al.
J Phys Chem A. 2006 Nov 2;110(43):11903-5. doi: 10.1021/jp0654260.
J Phys Chem A. 2006.
PMID: 17064177
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Chemical bonding and the equilibrium composition of Grignard reagents in ethereal solutions.
Henriques AM, Barbosa AG.
Henriques AM, et al.
J Phys Chem A. 2011 Nov 10;115(44):12259-70. doi: 10.1021/jp202762p. Epub 2011 Oct 13.
J Phys Chem A. 2011.
PMID: 21995269
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On the generalized valence bond description of the anomeric and exo-anomeric effects: an ab initio conformational study of 2-methoxytetrahydropyran.
Bitzer RS, Barbosa AG, da Silva CO, Nascimento MA.
Bitzer RS, et al.
Carbohydr Res. 2005 Sep 26;340(13):2171-84. doi: 10.1016/j.carres.2005.07.001.
Carbohydr Res. 2005.
PMID: 16054606
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Unified mechanistic concept of electrophilic aromatic nitration: convergence of computational results and experimental data.
Esteves PM, De M Carneiro JW, Cardoso SP, Barbosa AG, Laali KK, Rasul G, Prakash GK, Olah GA.
Esteves PM, et al.
J Am Chem Soc. 2003 Apr 23;125(16):4836-49. doi: 10.1021/ja021307w.
J Am Chem Soc. 2003.
PMID: 12696903
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