5 Questions 12 Answers 0 Followers
Questions related from Manoj Wijesingha
How to calculate electron density of nano iron atom and sulphate ion in gas phase using DFT method in Gaussian?
04 April 2015 1,482 6 View
How to run the calculations using excited state of DFT level and CCSD(T) in Gaussian? As a example, HONO molecule; 1. How to command the excited state in the rout section in Gaussian? 2. What is...
09 September 2014 5,480 7 View
-
03 March 2014 9,002 13 View
Basis Set
03 March 2014 4,517 1 View
What are the differences between the basis set of 6-311G** and cc-pVTZ? Why we call the basis set of cc-pVTZ is more accurate than 6-311G** basis set? When we obtain the transition structure by...
03 March 2014 1,497 9 View