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  • × Frontiers in Chemistr
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 全选  【符合条件的数据共：17条】

1 Insights into structural, spectroscopic, and hydrogen bonding interaction patterns of nicotinamide–oxalic acid (form I) salt by using experimental and theoretical approaches [期刊论文]

来源：Frontiers in Chemistry , 2023

作者:Manishkumar R. Shimpi;Poonam Tandon;Anubha Srivastava;等

关键词:nicotinamide;oxalic acid;...

使用许可:Unknown

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2 Exploration of phenolic acid derivatives as inhibitors of SARS-CoV-2 main protease and receptor binding domain: potential candidates for anti-SARS-CoV-2 therapy [期刊论文]

来源：Frontiers in Chemistry , 2023

作者:Naila Rafiq;Gezahign Fentahun Wondmie;Mohammed Bourhia;等

关键词:COVID-19;SARS-CoV-2;...

使用许可:Unknown

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3 DFT-assisted low-dimensional carbon-based electrocatalysts design and mechanism study: a review [期刊论文]

来源：Frontiers in Chemistry , 2023

作者:Xuecheng Yan;Hongzhe Xu;Yun Han;等

关键词:density functional theory;descriptor;...

使用许可:Unknown

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4 The influence of substituents in governing the strength of the P–X bonds of substituted halophosphines R1R2P–X (X = F and Cl) [期刊论文]

来源：Frontiers in Chemistry , 2023

作者:Robert J. O’Reilly, Amir Karton

关键词:chlorophosphine;fluorophosphine;...

使用许可:Unknown

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5 Accelerate the Electrolyte Perturbed-Chain Statistical Associating Fluid Theory–Density Functional Theory Calculation With the Chebyshev Pseudo-Spectral Collocation Method. Part II. Spherical Geometry and Anderson Mixing [期刊论文]

来源：Frontiers in Chemistry , 2022

作者:Yunhao Sun;Xiaoyan Ji;Xiang Ling;等

关键词:density functional theory;algorithm;...

使用许可:Unknown

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6 Editorial: Interfacial Structures and Their Properties [期刊论文]

来源：Frontiers in Chemistry , 2021

作者:Peter Broqvist, Joachim Paier, Xiaohang Lin

关键词:nanoparticles;surfaces;...

使用许可:Unknown

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