Philip Doganis

2 Questions 2 Answers 0 Followers

Questions related from Philip Doganis

How can I get a CIF or PDB file with a cube of specific size starting from the crystallographic information in the CIF file, preferably with freeware?

I want to make some calculations on metal oxides using crystallographic info from CIF files as start, but I need to have a cube of specific size, which I can't get using freeware/free versions of...

06 June 2014 9,771 0 View

Any tips on calculating quantum mechanical descriptors on metal oxide nanoparticles?

I am currently working on this issue and I would greatly appreciate any feedback, especially in relation to crystallographic structure data and how it can be used in calculations, especially with...

06 June 2014 3,490 1 View