Structural studies of polypyrroles I. An ab-initio evaluation of bonding through α and β carbons

Keyphrases

• Polypyrrole 100%
• Pentamer 100%
• Structure Stability 50%
• Geometry Optimization 50%
• Energy Difference 50%
• Probability Function 50%
• Pyrrole Oligomers 50%
• Relative Energy 50%
• Ab Initio Calculations 50%
• Approximate Probability 50%
• Linkage Type 50%
• Trimer 50%
• Mechanical Approach 50%
• Relative Stability 50%

Material Science

• Polypyrrole 100%
• Ab Initio Calculation 50%