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. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Aug-2023 | hbtp_scholl_pm_opt | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1612.15052890; Eh | ||||
2-Aug-2023 | hbtp_ox_p_m_ts_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1690.1551053; Eh | ||||
2-Aug-2023 | hbtp_ox_p_m_ts | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1688.40662029; Eh | ||||
2-Aug-2023 | hbtp_ox_p_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1690.2052404; Eh | ||||
2-Aug-2023 | hbtp_ox_p_opt | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1688.45806394; Eh | ||||
29-Jan-2024 | alpha_int_3 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | - | - | ||||
29-Jan-2024 | alpha_int_2 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | - | - | ||||
29-Jan-2024 | alpha_ts_2 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | - | - | ||||
29-Jan-2024 | alpha_int_4 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | - | - | ||||
29-Jan-2024 | beta_int_2 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | - | - |
Results 511-520 of 525 (Search time: 0.0 seconds).
Discover
Subject
Date issued
- 9 2023