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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2019 | system_P_TS-1 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3753.991037; Eh | |||
 | 1-Oct-2019 | system_P_P-rot | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3754.0257705; Eh | |||
 | 1-Oct-2019 | system_P_S-oxo-rot | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3753.9945746; Eh | |||
 | 1-Oct-2019 | system_P_TS-5c | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.4040473; Eh | |||
 | 1-Oct-2019 | system_B_P | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3754.0142676; Eh | |||
 | 1-Oct-2019 | system_P_TS-2 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3753.9950622; Eh | |||
 | 1-Oct-2019 | system_P_F-O2-allyl | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.435498; Eh | |||
 | 1-Oct-2019 | system_B_TS-1c | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3753.9729202; Eh | |||
 | 1-Oct-2019 | system_B_I | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3754.0090777; Eh | |||
 | 1-Oct-2019 | system_P_TS-5a | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -3904.4113531; Eh |
Results 41-50 of 81 (Search time: 0.0 seconds).
Discover
Subject