Browsing by Author Mukherjee, Madhubani
Showing results 1 to 10 of 10
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-Nov-2019 | 3-_layer_IP | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
9-Nov-2019 | 3_layer_IP | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
14-Nov-2019 | 3_layer_IP | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
14-Nov-2019 | 3_layer_IP_input_and_outputs | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
11-Nov-2019 | Final_3_layer_IP_files | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
14-Nov-2019 | IP_files | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
14-Nov-2019 | IP_files | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
9-Nov-2019 | IP_input_and_output | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
9-Nov-2019 | sample_input | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh | ||||
9-Nov-2019 | sample_input_and_output | Mukherjee, Madhubani | Orca; 4.0; CURRENT | Single point | RHF; HFFRAGMENTINTERACTION | - | -18158.43963682; Eh |