Case Study
Aromatic Heterocycles Modeled in TorchLite
Aromatic Heterocycles Modeled in TorchLite T. Cheeseright † † Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK Abstract The XED force field uses multi-poles to model negative electron density resulting in enhanced description of intramolecular interactions and substituent effects on aromatic systems. The effect of using the XED force field was studied by modeling the positive and negative molecular i