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_TS1-f2_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | RB3LYP | - | -229.950565275; Eh | ||
 | /PES_dp furan_TS13-14_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -230.002611951; Eh | ||
 | /PES_dp furan_TS13-17_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.940576557; 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_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 | ||
 | /PES_dp furan_TS4-9_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | RB3LYP | - | -229.963888408; Eh | ||
 | /PES_dp furan_TS5-6_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.935826538; Eh | ||
 | /PES_dp furan_TS0-3_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.953448663; Eh | ||
 | /PES_dp furan_TS0-7_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.944657077; Eh | ||
 | /PES_dp furan_TS5-17_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.948596804; Eh | ||
 | /PES_dp furan_TS1-26_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.842174912; Eh | ||
 | /PES_dp furan_TS7-27_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.859468583; Eh | ||
 | /PES_dp furan_TS1-f1_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | RB3LYP | - | -229.913805683; Eh | ||
 | /PES_dp furan_TS6-8_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | - | -229.938580715; Eh | ||
 | /PES_dp furan_TS7-f1_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | RB3LYP | - | -229.920806265; Eh |
Results 1-25 of 60 (Search time: 0.083 seconds).