Siti Ibrahim

3 Questions 7 Answers 0 Followers

Questions related from Siti Ibrahim

What are the generic force field parameter values used for paracetamol?

Is there any available force field value for paracetamol structures for molecular modelling calculations in the literature? Should I use the standard force field value of selected force field e.g....

06 June 2013 9,559 13 View

What will be the best way to identify slip plane based upon crystallographic structure?

In studying plastic deformation in crystal structure using molecular modelling, how can i identify the slip plane for the crystal,shall it be based on the morphological importance faces (BFDH) or...

03 March 2013 5,075 7 View

How do we characterise crystal structure i.e paracetamol into its lattice group i.e P/I/F?

From the crystal packing, how do we identify the bravais lattice group for the structure? Is there any suggestion for reading materials that explain the concept?

02 February 2013 1,442 3 View