Krishnamoorthy Arumugam

3 Questions 30 Answers 0 Followers

Questions related from Krishnamoorthy Arumugam

How do redox-active ligands interfere with the metal-redox behaviour?

I understand that the presence of pi-conjugation in coordinating ligands traps the incoming electron and participates in redox event and interferes with the metal-redox. The question is, would the...

04 March 2021 3,575 4 View

Is there any crystal structure available for Grignard Reagents, RMgX?

I am looking for crystal structure for RMgX (R=Me or Et; X=Cl, Br or I) type compounds.

26 January 2020 2,346 6 View

Why 'vc-relax' option in QE does not optimize lattice parameters?

I tried to do optimization for my system with QE (ubuntu). The input file is below. &CONTROL title = 'OPT' , calculation = 'vc-relax' ,...

14 November 2019 2,099 2 View