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Page 1
Electronic Structure Effects Related to the Origin of the Remarkable Near-Infrared Absorption of Blastochloris viridis' Light Harvesting 1-Reaction Center Complex.
J Chem Theory Comput. 2022 Jul 12;18(7):4555-4564. doi: 10.1021/acs.jctc.2c00497. Epub 2022 Jun 29.
J Chem Theory Comput. 2022.
PMID: 35767461
Free PMC article.
Calculation of VS,max and Its Use as a Descriptor for the Theoretical Calculation of pKa Values for Carboxylic Acids.
Caballero-García G, Mondragón-Solórzano G, Torres-Cadena R, Díaz-García M, Sandoval-Lira J, Barroso-Flores J.
Caballero-García G, et al. Among authors: mondragon solorzano g.
Molecules. 2018 Dec 26;24(1):79. doi: 10.3390/molecules24010079.
Molecules. 2018.
PMID: 30587832
Free PMC article.
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Accurate Estimation of pKb Values for Amino Groups from Surface Electrostatic Potential (VS,min) Calculations: The Isoelectric Points of Amino Acids as a Case Study.
Sandoval-Lira J, Mondragón-Solórzano G, Lugo-Fuentes LI, Barroso-Flores J.
Sandoval-Lira J, et al. Among authors: mondragon solorzano g.
J Chem Inf Model. 2020 Mar 23;60(3):1445-1452. doi: 10.1021/acs.jcim.9b01173. Epub 2020 Mar 10.
J Chem Inf Model. 2020.
PMID: 32108480
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