2 Questions 7 Answers 0 Followers
Questions related from Renjith Thomas
Dear colleagues and ORCA users May I know which is the equivalent Ahlrichs def2 family basis set for the split valence basis set- 6-311++(d,p) implemented in ORCA4.2? Or else, is 6-311++(d,p)...
28 November 2020 5,015 4 View
Can you propose a model theory and basis set to be used in the computational studies of cyclic carbenes (cycloprpene carbene). Is it okay to apply to for both singlet and triplet states? Thanks...
25 March 2016 5,072 2 View
