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. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 22-Jul-2017 | /L-N2H2/STEP_5_TS56 SP_TS56e_H04_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2H2/STEP_5_TS56 SP_TS56e_H06_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2Me2/STEP_3 SP_step3_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2Me2/STEP_1 SP_step1_M08_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2Me2/STEP_2 SP_step2_M04_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2H2/STEP_5_TS56 Freq_TS56e_H06_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2H2/STEP_5 Freq_step5e_H02_S12g | Angelone, Davide | ADF; 2013; 01 | Single point Minimum | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2H2/STEP_2 Freq_step2_H04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point Minimum | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2H2/STEP_5_TS56 Freq_TS56i_H04_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | |||
![]() | 22-Jul-2017 | /L-N2H2/STEP_2_TS23 Freq_TS23_H04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - |
Results 91-100 of 171 (Search time: 0.001 seconds).
Discover
Subject
- 171 Caechol
- 171 Cathecholase
- 171 oxidation