Nikhil Aggarwal

3 Questions 14 Answers 0 Followers

Questions related from Nikhil Aggarwal

How to compute Transition Dipole Moment direction of an electronic excitation in organic molecule?

Hi ! I want to compute the direction of Transition Dipole Moment for an electronic transition from ground state to higher excited states of organic molecules with respect to molecular axis. I...

02 August 2014 9,906 9 View

Professional peak fitting software for spectral data analysis ?

I usually use Origin for peak fitting but want to know if there are other professional software applications which can give more accurate results . Thanks

15 August 2013 4,844 14 View

Dimeric molecular interaction calculation?

I am using Gaussian for molecular optimization and energy calculation but now I want to learn how to do the same for dimers. In the case of dimers, orientation and different types of interaction...

19 June 2013 3,311 23 View