Elder Mota

6 Questions 9 Answers 0 Followers

Questions related from Elder Mota

How can I get the band gap energy in a system with unpaired electrons?

I am doing a theoretical study about graphene doped with some transition metals using the software Gaussian 09W. I ran the opt calculation of the structures and get the DOS Spectrum from the...

02 June 2015 716 4 View

What is the meaning of major contribs and minor contribs in band gap study?

I am doing a theoretical study about graphene doped with transition metals, and I have to analyse the bandgap energy about each structure. So I do not understand If the band gap energy is given by...

26 May 2015 2,524 1 View

How can I plot a fluorescence intensity versus wavelength graph using results of TD-DFT calculation from gaussian 09W?

I am doing a theoretical study about a photocatalyst using Gaussian 09W, and I did a TD-DFT calculation of some structures. So, I wanted to know about the flourescence quenching using each...

21 May 2015 8,817 3 View

Why is the bonding capability of Platinum 4 if It has 2 unpaired electrons?

I am doing a theoretical study of Platinum and I don't understand why It can do 4 bonds, If your electron configuration is 5d86s1. I need to understand because of the paramethers of charge and...

28 November 2014 5,245 3 View

Why is the electron configuration of Pt 5d96d1 and not 5d86d2? Does this apply for other transitions metals like Cobalt and Nickel?

I am doing a theoretical study about some transitions metals and I need to do a computational calculate. So I need to understand the electron configuration of Platinum and other transition metals,...

28 November 2014 6,240 3 View

What is the molecular structure of a graphene sheet?

I am doing a theoretical study of graphene sheet, and I need building a graphene sheet in a software. But I don't know very well how is the aromaticity in graphene sheet. Are the pi-electrons...

10 October 2014 4,817 2 View