Data for: THE NITROSO-GROUP BOND LENGTH IN N-NITROSAMINE RADICAL DERIVATIVES AND ITS RELATIONSHIP TO ACUTE ORAL TOXICITY

Published: 10 November 2026| Version 1 | DOI: 10.17632/tyzsytpbmw.1
Contributors:
Radu Silaghi-Dumitrescu,

Description

Supporting Information file for the manuscript. Also, the complete computational record behind the manuscript named in section 6: all Gaussian input files, all Gaussian output files, the tables derived from them, the analysis code that derives those tables, and the published figures.

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Institutions

Categories

Electronic Structure, Electronic Structure Calculation, DFT Method Application, Toxicity of Nitrosamine, Nitrosamine

Funders

  • Romanian Ministry of Education and Research
    Grant ID: PN-IV-PCB-RO-MD-2024-0515

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