Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 20-Oct-2023 | ts_ic-CH220_2_5_2220187_out | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_c-stilbeneO_0_1_2219911_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_c-stilbene_0_1_2219910_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_cycoctA_0_1_2220289_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_DHAol_0_1_1246820_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_CHol_0_1_1246666_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_CH_0_1_2219909_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-dmTHIO_2_3_2219605_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-dmTHIO_2_5_2220686_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-sty220_2_3_2219663_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
Results 191-200 of 203 (Search time: 0.001 seconds).
Discover
Subject
Calculation type