Rep:Mod:lt921 organic

Part 1: Cyclopentadiene and Taxol

Conformational Analysis Using Molecular Mechanics

Table 1: Energies and Optimized Structures of Cyclopentadiene Dimers using MMFF94s

	Dimer A	Dimer B
Model
Total Bond Stretching Energy / kcal mol-1
Total Angle Bending Energy / kcal mol-1
Total Stretch Bending Energy / kcal mol-1
Total Torsional Energy / kcal mol-1
Total Out-of-Plane Bending Energy / kcal mol-1
Total Van der Waals Energy / kcal mol-1
Total Electrostatic Energy / kcal mol-1
Total Energy / kcal mol-1

ENERGY OF ISOMER 1 : 55.3731 kcal/mol - MMFF94

ENERGY OF ISOMER 2 : Total58.1908670 MMFF94s