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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jun-2022 | enoneTS-IRC-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -1630.56596300; Eh | |||
 | 5-Jun-2022 | TS1-dashdash-irc | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -1664.59979529; Eh | |||
 | 5-Jun-2022 | IM1-dash-freq | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1664.74979753; Eh | |||
 | 5-Jun-2022 | TS2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1875.96989634; Eh | |||
 | 5-Jun-2022 | TS3-dash-irc | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -3727.58687437; Eh | |||
 | 5-Jun-2022 | TS1-dash-irc | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -1664.73406132; Eh | |||
 | 5-Jun-2022 | TS1-irc | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -1680.98153848; Eh | |||
 | 5-Jun-2022 | TS3-irc | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -1647.03103232; Eh | |||
 | 5-Jun-2022 | Cu_RingOpeningTS-irc | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -2520.87246482; Eh | |||
 | 5-Jun-2022 | enoneTS-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -1630.60214010; Eh |
Results 1-10 of 15 (Search time: 0.001 seconds).