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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Dec-2022 | /monocopper monoCu_Ctri_opt | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_CaltF1_uv | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_CaltG1_uv | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_CaltG3_uv | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_BaltB_opt | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_BaltA_frq | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_BaltA_uv | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_BaltA_opt | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_CaltA1-OS_frq | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Dec-2022 | /monocopper monoCu_CaltA1-OS_uv | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - |
Results 211-220 of 889 (Search time: 0.001 seconds).
Discover
Subject