Výsledky vyhledávání - "Shambhu Bhattarai"

Akademický článek

Improved Computational Prediction of the Electrochemical Reduction Potential of Twenty 3-Aryl-Quinoxaline-2-Carbonitrile 1,4-Di-N-Oxide Derivatives

Autor: Shambhu Bhattarai, Pradeep Mareta, Philip W. Crawford, Jonathan M. Kessler, Christina M. Ragain

Publikováno v: Computation, Vol 11, Iss 1, p 9 (2023)

The ability of density functional theory (DFT) using the functional B3LYP with the cc-pVTZ basis set to accurately predict the electrochemical properties of 20 3-aryl-quinoxaline-2-carbonitrile 1,4-di-N-oxide derivatives in dimethylformamide (DMF) wa

Externí odkaz: https://doaj.org/article/86c15358802d45d1a1fc87cdf4fbe8dc

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Reduction potential measurements and predictions for twenty 3-Aryl-quinoxaline-2-carbonitrile 1,4-Di-N-oxide derivatives with known anti-tumor properties

Autor: Eric D. Puhlmann, Austin Nenninger, Monica N. Mruzik, Eric M. Miller, Pradeep Mareta, Brooke J. Lowes, Michael Rupert Loncaric, Hannah C. Hufford, Krystina A. Brillos-Monia, Cody Brazel, Philip W. Crawford, Shambhu Bhattarai, Christina Ragain

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ddaf9e391566569b30cd3f310b8e5abc
https://doi.org/10.1021/scimeetings.0c06506

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