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- 17 Nov 2015, 17:52
- Forum: Running LSDalton
- Topic: ECD spectrum of a large molecule
- Replies: 1
- Views: 7399
Hi LSDalton users, I'm studying the dichroic response of large molecules. I successfully managed to run dalton and the results on small benchmark systems are really good. However because the size of my system (around 600 electrons) LSdalton seems to be more convenient for my research. I've tried to ...