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- 6.1 Stereochemistry
- 6.1.1 Constitution Isomers and Tautomers
- 6.1.2 Stereoisomers
- 6.2 Principle of Molecular Mechanics
- 6.3 Mathematical Expressions of Energy Terms
- 6.3.1 Bond Stretching Energy
- 6.3.2 Angle Bending Energy
- 6.3.3 Torsion Energy
- 6.3.4 Improper Torsions and Out-of-plane Bending Motions
- 6.3.5 Cross Terms: Class 1, 2 and 3 Force Fields
- 6.3.6 Energy of Non-binding Interactions
- 6.4 Force Fields
- 6.4.1 Parameterization Methods
- 6.4.2 SYBYL and TRIPOS Force Field
- 6.4.3 KOLLMAN Force Field
- 6.4.4 JUMNA and FLEX Force Field
- 6.5 Application Example
- 6.5.1 Problem to be Solved
- Problems