Anup Kumar Singh

4 Questions 51 Answers 0 Followers

Questions related from Anup Kumar Singh

Can anyone tell how to resolve the issue regarding convergence failure-run terminated (mentioned below)?

Error on total polarization charges = 0.01577 >>>>>>>>>> Convergence criterion not met. SCF Done: E(UB3LYP) = -4843.18741046 A.U. after 129 cycles...

04 April 2019 5,538 1 View

How to use ZINDO for excited state energy calculations?

Hi everyone, Gaussian 03 Online Manual says that "ZINDO calculations must not specify a basis set keyword". So I did the same for calculating singlet state energy but it's not working. It's...

04 April 2017 2,165 6 View

What is the suitable method to protect benzoic acid using tert-butyl alcohol?

Can we protect acid with Boc?

12 December 2014 6,814 25 View

Is it essential to quench NaH after the completion of a reaction?

I am trying benzylation by using NaH as a base and THF as a solvent. I want to know if it is essential to quench NaH after the completion of a reaction.

10 October 2014 3,975 10 View