Geometric and electronic structure of alkane/benzene, ethylbenzene/benzene, and alkane/ethylbenzene complexes: Towards the characterization of polymer alloy composites

Chemistry

• Benzene 100%
• Ethylbenzene 100%
• Polymer 75%
• Methane 50%
• Propane 50%
• Alkane 50%
• Carbon Black 50%
• Surface 50%
• Ethane 25%
• Amine 25%
• Hydroxyl 25%
• k·p perturbation theory 25%
• Electronic State 25%
• Quantum Chemical Calculations 25%
• Quinonoid Zwitterion 25%
• Second Order 25%
• Functionalization 25%
• Energy 25%
• Group 25%
• Carbon 25%
• Molecular Mechanics Calculation 25%

Physics

• Composite Material 75%
• Polymer Blends 50%
• Model 50%
• Substrates 50%
• Amine 25%
• Polystyrene 25%
• Perturbation Theory 25%
• Electronic Structure 25%
• Polyethylene 25%
• Mixtures 25%
• Particle 25%
• Sites 25%
• Binding 25%
• Correlation 25%