Results in Chemistry, Год журнала: 2023, Номер 7, С. 101263 - 101263
Опубликована: Дек. 13, 2023
In the current scientific milieu, a plethora of studies explores intricacies unravelling antioxidant capacities inherent in novel compounds, employing sophisticated tool quantum chemistry. However, despite strides made this field, it is widely acknowledged that chemical computations are not immune to imperfections, particularly when applied diverse array systems. The challenges extend critical task discerning reliability suspected thermodynamic data, pivotal aspect assessment candidates. This report endeavours address pressing question how establish trustworthiness data derived from mechanical computations. Rather than solely relying on approaches, our proposed methodology advocates for an inclusive strategy incorporates additional experimental parameters bolster overall credibility assessment. With specific focus nicotine and Trolox, we aim transcend limitations singular computational methods. By juxtaposing quantum-derived with supplementary evidence, aspire forge comprehensive framework capable robustly evaluating
Язык: Английский