Maryam D.Jahromi

3 Questions 9 Answers 0 Followers

Questions related from Maryam D.Jahromi

How to fix error in Scan with CCSD(T) method in gaussian?

Hello.. I want to scan a bond length using CAM-B3LYP and compare the result with CCSD(T) method. The basis set used for both methods are the same(6-31+G(df)). Every thing was good in the case of...

07 July 2016 9,694 7 View

Any suggestions on a problem in docking with autodock4?

Hi every body I am a beginner in docking and have some questions.please help me in detail. 1- what considerations might be taken into account to have a docking with RMSD lower than 2?I have done a...

15 December 2015 9,497 10 View

Which package is best for calculating spin orbit coupling

How we can calculate the spin-orbit coupling? I need to know which package is more suitable for spin-orbit coupling calculation, Gaussian package or GAMESS package or anything else suggestion?

14 June 2015 6,362 9 View