Arama Sonuçları - "density functional theory"

SYNTHESIS AND ANTIOXIDANT ACTIVITY OF (E)-3-(3-(4-OXO-4H-CHROMEN-3-YL)ACRYLOYL) 2H-CHROMEN-2-ONE DERIVATIVES Yazar: S. S. Shatokhin, V. A. Tuskaev, S. Ch. Gagieva, D. I. Pozdnyakov, E. T. Oganesyan

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Characterization of Plant-Derived Natural Inhibitors of Dipeptidyl Peptidase-4 as Potential Antidiabetic Agents: A Computational Study Yazar: Alomgir Hossain, Md Ekhtiar Rahman, Md Omar Faruqe, Ahmed Saif, Suzzada Suhi, Rashed Zaman, Abdurahman Hajinur Hirad, Mohammad Nurul Matin, Muhammad Fazle Rabbee, Kwang-Hyun Baek

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A Theoretical Study on the Optical Spectroscopic Properties of Indigoids@B36 Yazar: Tugba Tugsuz

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Periodic DFT Calculations-Review of Applications in the Pharmaceutical Sciences Yazar: Anna Helena Mazurek, Łukasz Szeleszczuk, Dariusz Maciej Pisklak

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Theoretical investigation of the quasi-ring C-H...π interactions / Lee Sin Ang ... [et al.] Yazar: Ang, Lee Sin, Ab Ghani, Zaidi, Yaakob, Mohd Hafiz, Mohamed Ibrahim, Mohamed Ismail

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Electrocatalysts for Fuel Cells and Hydrogen Evolution Theory to Design

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Theoretically nanoscale study on ionization of muscimol nano drug in aqueous solution Yazar: Farhoush Kiani, Mehran Abbaszadeh, Mohammad Pousti, Fardad Koohyar

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In Silico and In Vitro Study of Antioxidant Potential of Urolithins Yazar: Emanuela Marchese, Valentina Orlandi, Federica Turrini, Isabella Romeo, Raffaella Boggia, Stefano Alcaro, Giosuè Costa

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First principles investigations of electronic structures and hyperfine interactions of Muonium in tetraphenylsilane / Pek-Lan Toh ... [et al.] Yazar: Toh, Pek-Lan, Sulaiman, Shukri, Mohamed-Ibrahim, Mohamed Ismail, Jayasooriya, Upali A.

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The 40th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering

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Auranofin Targeting the NDM-1 Beta-Lactamase: Computational Insights into the Electronic Configuration and Quasi-Tetrahedral Coordination of Gold Ions Yazar: Iogann Tolbatov, Alessandro Marrone

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Amidinoquinoxaline-Based Nitrones as Lipophilic Antioxidants Yazar: Nadia Gruber, Liliana Orelli, Cristina Minnelli, Luca Mangano, Emiliano Laudadio, Giovanna Mobbili, Pierluigi Stipa

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THERMODYNAMIC PARAMETERS OF LEAD SULFIDE CRYSTALS IN THE CUBIC PHASE Yazar: T. O. Parashchuk, A. V. Zagorodnyuk, L. І. Nykyruy, B. P. Volochanska, Т. М. Mazur

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Artificial intelligence assisted with designing metal‐organic frameworks (MOFs) Yazar: Navid Rabiee

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Radical-scavenging activities of marine-derived xyloketals and related chromanes Yazar: Zhongliang Xu, Bingtai Lu, Qi Xiang, Yiying Li, Shichang Li, Yongcheng Lin, Jiyan Pang

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Modeling the Structure of Crystalline Alamethicin and Its NMR Chemical Shift Tensors Yazar: Jiří Czernek, Jiří Brus

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Adenosine Derivates as Antioxidant Agents: Synthesis, Characterization, in Vitro Activity, and Theoretical Insights Yazar: Francisco Valdes, Nelson Brown, Alejandro Morales-Bayuelo, Luis Prent-Peñaloza, Margarita Gutierrez

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Investigation the antioxidant activity of benzo[g]triazoloquinazolines correlated with a DFT study Yazar: Abdulrahman A. Almehizia, Hatem A. Abuelizz, Hanan A.A. Taie, Anouar ElHassane, Mohamed Marzouk, Rashad Al-Salahi

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In Silico Study of Ceftaroline's Molecular Properties Yazar: Elso Manuel Cruz Cruz, Eslhey Sánchez Domínguez

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In Silico Study of Ceftaroline's Molecular Properties Yazar: Elso Manuel Cruz Cruz, Eslhey Sánchez Domínguez

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