@Arun_Pal

Arun Kumar Pal

2 Questions 2 Answers 0 Followers

Questions related from Arun Kumar Pal

How can I convert Debye-ang (polarizability), Debye-ang**2 (first hyperpolarizability) and Debye-Ang**3 (second hyperpolarizability) to atomic unit?

I wanted to calculate the longitudinal (z-axis) static polarizability and hyperpolarizabilities beta and gamma of polybutatriene oligomers by using Gaussian09. I have used  [#P...

03 March 2017 3,667 1 View

Can I use g09 optimized geometry for calculating single point and broken symmetries by Orca 3.0.1 for organic systems having more than 2 radicals?

My system contains more than two radicals and I want to calculate all possible magnetic exchange coupling constants. I am using g09 for optimization. Orca 3.0.1 is intended to be used for single...

02 February 2014 1,717 1 View

Our partners will collect data and use cookies for ad personalization and measurement. Learn how we and our ad partner Google, collect and use data. Agree & close