Výsledky vyhledávání - "Aneesa Choudhary"

A simple computational approach for pKa calculation of organosulfur compounds

Autor: Arif Zubair, Aneesa Choudhary, Majid Khalil Syed, Syed Tahir Ali

Publikováno v: Journal of the Serbian Chemical Society, Vol 86, Iss 2, Pp 165-170 (2021)

The present work is related to predicting the pKa values of organosulfur compounds through the density functional theory (DFT). In this study, 22 organosulfur compounds were considered to calculate the theoretical pKa values. The main emphasis was gi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5374b62096ca1acd97248d34e503354e
http://www.doiserbia.nb.rs/img/doi/0352-5139/2021/0352-51392000042A.pdf

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