Dumitru Sirbu

5 Questions 7 Answers 0 Followers

Questions related from Dumitru Sirbu

What is the relationship between second hyperpolarizability and third-order nonlinear susceptibility?

Hello, Can someone direct me to a good source to read on the relationship between second hyperpolarizability and third-order nonlinear susceptibility in organic systems? The general idea is...

27 October 2020 8,047 0 View

What is unique about neuron's membrane composition?

Is there something specific about neuronal membrane composition at the molecular level that makes it different from other cells membrane?

03 October 2016 6,011 3 View

Why the Dipole Moment for excited state from .chk and .out files are different?

I did optimize the structure with TDO-DFT for the first excited state (N=6,root=1). The dipole moment values from .chk file are about 4 times higher...

26 August 2016 4,326 1 View

How can I determine the HOMO-LUMO band gap from electronic absorption spectrum?

Dear colleagues, What is the accepted method to extract the HOMO-LUMO band gap from electronic absorption spectrum with no fluorescence? I know people taking the wavelength at 10 % of the maximum...

25 April 2016 4,022 8 View

How can I experimentally determine a material's conduction/valence bands?

So far I used CV for the study of redox properties of molecules. Is the procedure for determination of conduction/valence bands of materials (I am especially interested in oxides nanoparticles)...

09 May 2015 1,004 3 View