@Nilangshu-Mandal

Nilangshu Mandal

2 Questions 4 Answers 0 Followers

Questions related from Nilangshu Mandal

Seeking help with small imaginary frequencies from alkyl group rotation in optimized minima and saddle points using B3LYP in ORCA?

I frequently encounter this issue. Any suggestions?

04 October 2024 9,199 5 View

Can anyone suggest how to calculate the dynamic rate constant for a reaction pathway?

Please, consider the unimolecular reaction perspective!

25 January 2024 3,976 0 View

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