Hello Everyone,
I am a PhD student working in the field of mineral and material processing. One part of my project involves use of DFT calculations to study adsorption of small to mid sized molecules on mineral crystals.
I am using Gaussian 09 simulation package and currently I am in the...
Thanks a lot Cgk,
Like I said i am quite new to the computational chemistry area. I have found that our university servers have Gaussian 09 installed which I could access, so I guess the computer configuration problem is solved now..
Our University doesn't have VASP though, so may be I...
Hi Everyone,
I am a PhD student working on different collector molecules used in flotation process (an important mineral separation process). One of the important part of my project will be to study the reactivity of different types of collectors towards some particular mineral(s) by using...