Syllabus
Physical mechanism of non-covalent interactions
Electrostatic interaction, multipole expansion, induction
London dispersion
Pauli repulsion
Specific interaction motifs
Hydrogen bond
Halogen bond and other sigma-hole interactions
Dispersion and stacking
Charge transfer
Non-covalent interactions in thermodynamics
Potential energy
Zero point vibration energy
Entropy
Solvation, "hydrophobic interaction" van der Waals equation, configuartion integral
<span style="font-size: 11pt; font-family: Arial; color: #000000; background-color: transparent; font-weight: 400; font-style: no
Annotation
Non-covalent Interactions - physical principles, QM and MM computational method, experimental methods, role of non-covalent interactions in biomolecules