A Computational Chemistry Approach to the Molecular Design of SiO₂ Nanoparticles Coated with Stearic Acid and Sodium Stearate in Ethanol Solvent.

Engineering & Materials Science

• SiO2 nanoparticles 95%
• Computational chemistry 94%
• Stearic acid 89%
• Sodium 62%
• Ethanol 61%
• Nanoparticles 53%
• Adhesion 35%
• Ionization 29%
• Atomic force microscopy 29%
• Surface active agents 25%
• Adsorption 22%
• Hydrogen bonds 21%
• Hydrophobicity 19%
• Molecular dynamics 17%
• Electrostatics 16%
• Ions 14%
• Coatings 11%
• Computer simulation 8%
• Distribution functions 7%

Physics & Astronomy

• computational chemistry 100%
• stearates 88%
• ethyl alcohol 60%
• acids 55%
• sodium 54%
• nanoparticles 41%
• adhesion 17%
• surfactants 11%
• hydrophobicity 9%
• adsorption 9%
• atomic force microscopy 9%
• ionization 8%
• hydrogen bonds 8%
• electrostatics 6%
• preparation 5%
• molecular dynamics 5%
• coatings 5%
• interactions 4%
• affinity 4%
• radial distribution 4%
• ions 3%
• energy 3%
• chemistry 3%
• distribution functions 3%
• simulation 3%
• dipoles 3%
• estimates 2%
• predictions 2%

Chemical Compounds

• Sodium Stearate 97%
• Computational Chemistry 75%
• Ethanol 39%
• Nanoparticle 30%
• Work of Adhesion 28%
• Solvent 28%
• Acid 21%
• Ionization 9%
• Atomic Force Microscopy 9%
• Surfactant 8%
• Hydrophobicity 7%
• Molecular Dynamics 6%
• Adsorption 6%
• Energy 5%
• Simulation 5%
• Radial Distribution Function 5%
• Coating Agent 4%
• Silanol 4%
• Reduction 3%
• Force 2%
• Hydrogen Bond 2%
• Chemistry 2%
• Environment 2%
• Hydrogen 2%
• Purity 2%
• Ion 1%
• Surface 1%
• Application 1%