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Visualization of non covalent interactions (NCI) from Dmol3 or CASTEP ?
Visualization of non covalent interactions (NCI) from Dmol3 or CASTEP ?
KR
KR
2017-11-17
BIOVIA Materials Studio
Dear all, is it possible to use .grd files in order to visualize NCI in molecules or other chemical systems in Dmol3 or CASTEP calculations ? I would kindly appreciate a detailed procedure to achieve this.