Inversion Theory Leveling as a New Methodological Approach to Antioxidant Thermodynamics: A Case Study on Phenol

Antioxidants are various types of compounds that represent a link between biology and chemistry. With the development of theoretical and computational methods, antioxidants are now being studied theoretically. Here, a novel method is presented that aims to reduce the estimated wall times for DFT cal...

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Main Authors: Nikola Stamenković (Author), Janez Cerkovnik (Author), Nataša Poklar Ulrih (Author)
Format: Book
Published: MDPI AG, 2023-01-01T00:00:00Z.
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3rd Floor Main Library

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Call Number: A1234.567
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