Microscopic wetting of self-assembled monolayers with different surfaces: A combined molecular dynamics and quantum mechanics study

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Key Laboratory of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China [1 ]
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Langmuir | / 14卷 / 8611-8620期
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Compilation and indexing terms; Copyright 2025 Elsevier Inc;
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摘要：
Biomimetics - Molecular modeling - Hydration - Hydrogen bonds - Hydrophilicity - Molecules - Quantum theory - Hydrophobicity - Molecular dynamics - Wetting
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