Aqeela Albar

4 Questions 15 Answers 0 Followers

Questions related from Aqeela Albar

What is the UV-spectrum of beta-carotene on Gaussian 03?

I have been attempting to calculate the UV-visible spectrum of beta-carotene using Gaussian 03 at a level of theory of TD-DFT/B3LYP/6-31g (on a pre-optimized structure). The spectra obtained for...

09 September 2015 6,999 8 View

Why is my structure embedded from chembio 3D not showing up on powerpoint or word?

Hi, I am trying to embed a structure from chembio3D to microsoft powerpoint 2010. But the structure is not being displayed on powerpoint. Tried it with word, still no success. Would anyone know...

03 March 2015 399 21 View

What is the difference between AM1 and PM3 methods?

What is the difference between AM1 and PM3 methods in computational chemistry and when is it better to use one over the other?

03 March 2015 4,375 8 View

Why do we set orbital criterion to 3,3 in Hyperchem when calculating electronic spectrum?

Hi, I'm doing some calculations on Hyperchem for my research and most sources that I read say the orbital criterion should be set at 3 for both the occupied and unoccupied when calculating the...

12 December 2014 5,630 0 View