yes sir, i want to run geometry optimization in ORCA so basically its an azo dye particularly Na+ derivative…but i wud like to assign charges to metals nd try as well
sir if you could pls explain that…!
yes sir, i want to run geometry optimization in ORCA so basically its an azo dye particularly Na+ derivative…but i wud like to assign charges to metals nd try as well
sir if you could pls explain that…!