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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Mar-2018 | /PES_3df2p furan_TS0-7_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -229.962053530; Eh | |||
 | 11-Mar-2018 | /PES_dp furan_TS2-25_dp | Alcami Pertejo, Manuel | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization TS | RB3LYP | - | -229.846681349; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_TS5-17_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -229.964788081; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_TS4-f_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -229.942214782; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_TS7-27_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -229.877380135; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_TS6-8_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -229.954683474; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_TS7-8_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -230.049969716; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_TS5-6_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -229.952210145; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_TS1-26_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -229.859834720; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_TS9-12_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | - | -229.978529942; Eh |
Results 1-10 of 101 (Search time: 0.0 seconds).