Browsing by Author Swart, Marcel
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Nov-2024 | /N2Py2Im frq_feiii-o_1_4 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiii-o_1_6 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiii-oh_2_2 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiii-oh_2_4 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiii-oh_2_6 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiv-o_2_1 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiv-o_2_3 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiv-o_2_5 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiv-oh_3_1 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiv-oh_3_3 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiv-oh_3_5 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiii-o_1_2 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiii-o_1_4 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiii-o_1_6 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiii-oh_2_2 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiii-oh_2_4 | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiii-oh_2_6 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiv-o_2_1 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiv-o_2_3 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiv-o_2_5 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |