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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Sep-2023 | VDD_RS8_Val | Novotny, Jan | ADF; 2019 | Single point | M06-2X == Not Default == | TZ2P | - | ||||
1-Sep-2023 | VDD_RS7_Val | Novotny, Jan | ADF; 2019 | Single point | M06-2X == Not Default == | TZ2P | - | ||||
1-Sep-2023 | VDD_RS7 | Novotny, Jan | ADF; 2019 | Single point | M06-2X == Not Default == | TZ2P | - | ||||
1-Sep-2023 | VDD_RS8 | Novotny, Jan | ADF; 2019 | Single point | M06-2X == Not Default == | TZ2P | - | ||||
31-Jan-2024 | /EDA C4PLi_EDA_ionic | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | |||||
31-Jan-2024 | /EDA C3PLi_EDA_ionic | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | |||||
31-Jan-2024 | /EDA C3PLi_EDA_neutral | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | |||||
31-Jan-2024 | /EDA C4PLi_EDA_neutral | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - |
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- 22 DFT
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