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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_dp furan_MIN20_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -229.380380476; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_MIN21_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -229.414338501; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_MIN19_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -229.404422518; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_MIN24_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -229.415850045; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_MIN20_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -229.396808732; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_MIN22_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -229.416562024; Eh | |||
 | 11-Mar-2018 | /PES_3df2p furan_MIN23_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -229.403845909; Eh | |||
 | 11-Mar-2018 | /PES_dp furan_MIN19_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -229.386953752; Eh | |||
 | 11-Mar-2018 | /PES_dp furan_MIN32_dp | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -228.813303835; Eh | |||
 | 11-Mar-2018 | /PES_dp furan_MIN23_dp | Alcami Pertejo, Manuel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization Minimum | UB3LYP | - | -229.386161198; Eh |
Results 1-10 of 13 (Search time: 0.0 seconds).