Hand out

Files

This database has been constructed thanks to the help of students at Universidad de Oviedo. Their names are acknowledged in each example.

ELF

Analysis of VSEPR effects

NCI

Analisys of non covalent interactions

NCIweb: online visualization

• H₂ long distance
• H₂ short distance
• Water dimer
• Benzene Dimer staggered
• Bicyclooctene
• Adenine-thymine
• Phenol dimer
• Formic acid dimer

• CB[7]-bcb
• Benzene Dimer staggered
• Benzene Dimer T-shape
• Cyclohexane Dimer
• Bucky bowls b-in-b
• Bucky bowls staggered
• Trux-3
• Trux-4
• Trux-5
• Trux-6
• Naphtalene Dimer Staggered
• Naphtalene Dimer T-shape
• Naphtalene-like Cyclohexane Dimer
• Antracene Dimer Staggered
• Antracene Dimer T-shape
• Antracene Dimer Cyclohexane Dimer
• Protein-Ligand 3NIR
• Protein-Ligand 4D7B
• Protein-Ligand 1STP