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1 The Adsorption of Small Molecules on the Copper Paddle-Wheel: Influence of the Multi-Reference Ground State [期刊论文]

来源：Molecules , 2022

作者:Marjan Krstić, Dmitry I. Sharapa, Karin Fink

关键词:copper paddle-wheel;HKUST-1;...

使用许可:Unknown

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2 Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study [期刊论文]

来源：Molecules , 2022

作者:Ahmed M. El-Shehawi;Sarah Albogami;Unesco Chakma;等

关键词:DFT;HOMO;...

使用许可:Unknown

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3 Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds [期刊论文]

来源：Molecules , 2022

作者:Mansour Sobeh;Mohamed A. O. Abdelfattah;Lukas Brieger;等

关键词:[3+2] cycloaddition;thiochroman-4-one;...

使用许可:Unknown

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4 Low-Molecular Pyrazine-Based DNA Binders: Physicochemical and Antimicrobial Properties [期刊论文]

来源：Molecules , 2022

作者:Mariusz Makowski;Agnieszka Chylewska;Paulina Mech-Warda;等

关键词:chloride effect;DNA-binding;...

使用许可:Unknown

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5 Theoretical Studies on the Mechanism of deNOx Process in Cu–Zn Bimetallic System—Comparison of FAU and MFI Zeolites [期刊论文]

来源：Molecules , 2022

作者:Izabela Czekaj, Izabela Kurzydym

关键词:zeolites;deNOx;...

使用许可:Unknown

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6 UV-Vis Spectroscopy, Electrochemical and DFT Study of Tris(β-diketonato)iron(III) Complexes with Application in DSSC: Role of Aromatic Thienyl Groups [期刊论文]

来源：Molecules , 2022

作者:Marrigje M. Conradie

关键词:iron(III);UV-Vis;...

使用许可:Unknown

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