Saisudhakar ..

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Questions related from Saisudhakar ..

What is the range of pi-pi* and Intramolecular charge transfer bands in absorption of a dye?

I wanted to know the range of pi-pi* and intramolecular charge transfer bands in the absorption spectrum of an organic dye (donor-spacer-acceptor).

03 March 2015 5,004 5 View

What should I do when i get oscillator strength values more than 1?

I have performed absorption calculations for some molecules using TD-DFT in Gaussian 09 program. As I know oscillator strength values should be in the range of 0-1, but when I performed...

30 October 2014 9,995 11 View

How does one generate Graphyne and Graphdiyne structures?

How we can generate Graphyne and Graphdiyne structures? Is there any web for it ? (as like tubegen for CNT)

04 August 2014 2,851 1 View

What is the keyword for pH in Gaussian 09?

I want to check optical/electronic properties of some molecules at different pHs. Is there any keyword to set the pH manually in Gaussian 09?

19 April 2014 163 1 View

Is it possible to calculate quantum yield/quantum efficiency using Gaussian 09?

Quantum efficiency using Gaussian 09

25 October 2013 1,521 10 View