Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /PES_dp furan_TS15-16_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.952203422; Eh | ||
 | /PES_dp furan_TS19-20_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.278917153; Eh | ||
 | /PES_dp furan_TS13-33_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevE.01 | RB3LYP | - | -229.918703005; Eh | ||
 | /PES_dp furan_TS13-f_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.876731666; Eh | ||
 | /PES_dp furan_TS9-18_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.952004680; Eh | ||
 | /PES_dp furan_TS2-25_dp | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | RB3LYP | - | -229.846681349; Eh | ||
 | /PES_dp furan_MIN20_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.380380476; Eh | ||
 | /PES_dp furan_TS1-f2_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | RB3LYP | - | -229.950565275; Eh | ||
 | /PES_dp furan_MIN24_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | - | -229.400218964; Eh | ||
 | /PES_dp furan_TS13-14_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -230.002611951; Eh | ||
 | /PES_dp furan_MIN23_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | UB3LYP | - | -229.386161198; Eh | ||
 | /PES_dp furan_TS13-17_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.940576557; Eh | ||
 | /PES_dp furan_MIN22_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.400544635; Eh | ||
 | /PES_dp furan_TS10-11_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -230.020211654; Eh | ||
 | /PES_dp furan_TS12-f_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | RB3LYP | - | -229.997039143; Eh | ||
 | /PES_dp furan_MIN21_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | - | -229.398289389; Eh | ||
 | /PES_dp furan_MIN27_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -228.688349517; Eh | ||
 | /PES_dp furan_MIN28_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -228.720217261; Eh | ||
 | /PES_dp furan_MIN25_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -228.667832041; Eh | ||
 | /PES_dp furan_MIN26_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -228.755243259; Eh | ||
 | /PES_dp furan_MIN29_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -228.738943950; Eh | ||
 | /PES_dp furan_TS9-12_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.961755237; Eh | ||
 | /PES_dp furan_TS0-15_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.947295345; Eh | ||
 | /PES_dp furan_TS4-f_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | RB3LYP | - | -229.925534968; Eh | ||
 | /PES_dp furan_TS0-2_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | RB3LYP | - | -229.972068355; Eh |
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