Molecular shuttles. A computational study (MM and RID) on the translational isomerism in some [2]rotaxanes

Keyphrases

• Computational Study 100%
• Rotaxanes 100%
• Translational Isomerism 100%
• Translational Barriers 100%
• Molecular Shuttle 100%
• Molecular Dynamics Calculations 50%
• Molecular Mechanics 50%
• Alkyl Group 50%
• Force Field 50%
• Experimental Values 50%
• Macromodel 50%
• Polyether Chain 50%
• Non-bonded Interactions 50%

Chemistry

• Isomerism 100%
• [2]rotaxane 100%
• Molecular Mechanic 50%
• Alkyl Group 50%
• Molecular Dynamics 50%
• Polyether 50%