Recent content by cenicitas

Hi everyone! Well, I'm a chemist and..I don't know too much about programing but i can't keep using origin for everything...it just take so much time sometimes so I want to learn Matlab and I would like to know if anyone here could recommend me a website or something to use as a starting...

but, how can I calculate this value?

So I'm just starting a course and trying to learn reproducing stuff already done, here for example the have some exp. data and did some tddft calculations, what given values for the energy that requiered to be shifted. Fig. 5 Experimental (top) and calculated (bottom) Mo K-pre-edge of the...

that's what I though but, again if my "energy shift" is given by y= a+bx, then I'm not just shifting the function, I'm changing it since I'm not modifying the y data.. Well so I'm talking about k-ege for Fe and td dft calculations (it's reported that the shift should be close to + 180 ev)

sorry I'm not exactly sure what are you saying. So the calibaration that I'm doing is wrong?

Hello! Well this is a quite embarrassing problem but I think my maths has disappeared the last years. So I"m working on some calculations and i want to compare with the expermental data but there's a shift on energy that it has to be apply. So I thought I just need to to a simple calibration...

Hello! I'm a chemistry student and young research! I just love science and when I think about all the things I still have to learn...I'm just excited! Hope we could have interesting discussions. :) best!