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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 23-Nov-2024 | /N3PyIm frq_feiv-o_2_1 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N2Py2Q opt_feiv-o_2_1 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N3PyQbis opt_feiii-o_1_6 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N2Py2Q opt_feiv-o_2_3 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N3PyIm frq_feiv-o_2_3 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N2Py2B frq_feiv-o_2_3 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N3PyQbis opt_feiii-o_1_2 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N3PyQbis opt_feiii-o_1_4 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N3PyIm frq_feiii-oh_2_6 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 23-Nov-2024 | /N2Py2B frq_feiv-o_2_1 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - |
Results 1-10 of 240 (Search time: 0.001 seconds).