- previous
- 1
- next
Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /PES_dp furan_TS19-20_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.278917153; Eh | ||
 | /PES_dp furan_MIN20_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.380380476; Eh | ||
 | /PES_dp furan_MIN24_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | - | -229.400218964; Eh | ||
 | /PES_dp furan_MIN23_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | UB3LYP | - | -229.386161198; Eh | ||
 | /PES_dp furan_MIN22_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.400544635; Eh | ||
 | /PES_dp furan_MIN21_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.398289389; Eh | ||
 | /PES_dp furan_TS23-24_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | UB3LYP | - | -229.323071591; Eh | ||
 | /PES_dp furan_TS24-f_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | UB3LYP | - | -229.267391123; Eh | ||
 | /PES_dp furan_TS20-21_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.305100339; Eh | ||
 | /PES_dp furan_TS20-f_dp | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | UB3LYP | - | -229.327020881; Eh | ||
 | /PES_dp furan_TS21-22_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.393959313; Eh | ||
 | /PES_dp furan_TS22-f_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.372481086; Eh | ||
 | /PES_dp furan_MIN19_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.386953752; Eh | ||
 | /Fragments H3C4O_q0_m2-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.386954865; Eh | ||
 | /Fragments H3C4O_q0_m2-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.362694426; Eh | ||
 | /PES_3df2p furan_TS24-f_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.283654723; Eh | ||
 | /PES_3df2p furan_TS23-24_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.339255100; Eh | ||
 | /PES_3df2p furan_TS22-f_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.388480923; Eh | ||
 | /PES_3df2p furan_TS20-f_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.343078605; Eh | ||
 | /PES_3df2p furan_TS20-21_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.322149904; Eh |
- previous
- 1
- next
Results 1-20 of 20 (Search time: 0.07 seconds).