Category Archives: nwchem

How to plot the Dipole Moment calculated by NWCHEM with XCrysDen

Dipole moment of molecules is an interesting physical quantity that can be directly measured in experiments and easily calculated by means of Density Functional Theory. Moreover the size of dipole moment is related to many other properties as for instance light emission in polar liquid, packing of molecules in solid phase. With NWChem it can… Read More