Henrique C. S. Junior

4 Questions 17 Answers 0 Followers

Questions related from Henrique C. S. Junior

[Spectragryph] - Is it possible to match spectra position by dragging?

I have two questions, actually: 1 - Is it possible to "drag" one spectrum to reposition it against another spectrum for a better match/comparison? I know I can go to Process > X Offset and...

03 February 2022 550 2 View

Zero-field splitting: whats the meaning of the + or - sign in the axial anisotropic component D?

I just started studying Zero-field splittings to understand the origins of magnetic anisotropy. So far, the concept of axial and rhombic anisotropic components are getting clear, but I still cant...

13 May 2019 4,143 1 View

Coupling constant (Jab) - Why more unpaired electrons means a smaller coupling?

Available literature proposes 3 equations to calculate the coupling constant during a Broken-Symmetry approach: J(1) = (from -(E[HS]-E[BS])/Smax**2)J(2) = (from -(E[HS]-E[BS])/(Smax*(Smax+1))J(3)...

11 June 2016 2,357 2 View

Which software is most suitable to calculate magnetic properties in solid state chemistry?

In my Masters Degree I'm working with molecular magnetism. A important part of the work is calculating the magnetic coupling between metal centers, checking the type of interaction. I'm using ORCA...

11 August 2015 7,251 7 View