Chemical reactivity of alliin and its molecular interactions with the M proteasepro of SARS-CoV-2 by López-Orozco Wendolyne, Mendoza-Huizar Humberto Luis, Álvarez-Romero Giaan Arturo, Torres-Valencia Jesús Martín, Sanchez-Zavala Maricruz

Subjects: “…fukui function…”
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Computational Study of Some Urolithin Derivatives-based Biomass Corrosion Inhibitors on the Fe (110), Cu(111) and Al(111) Surface by Rebaz A. Omer

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Review on atomistic and quantum mechanical simulation approaches in chemical mechanical planarization by Seokgyu Ryu, Murali Ramu, Patrick Joohyun Kim, Junghyun Choi, Kangchun Lee, Jihoon Seo

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A Simple Green Method for the Determination of Hydrogen Peroxide and Fe(III)/Fe(II) Species Based on Monitoring the Decolorization Process of Polymethine Dye Using an Optical Immer... by Arina Skok, Yaroslav Bazel, Maksym Fizer

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Structural Elucidation, DFT Calculations, Hirshfeld Surface Analysis, Molecular Dynamics Simulation, ADMET Profiles, and Molecular Docking of Two Benzazocine Derivatives NAOP-12 an... by Tanveer Hasan, Raza Murad Ghalib, Sayed Hasan Mehdi, Tazeem, Nazia Kazmi

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Correlation of physicochemical properties with antioxidant activity in phenol and thiophenol analogues by R. Bernadett Vlocskó, Maxim Mastyugin, Béla Török, Marianna Török

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