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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_MIN0_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -230.105615374; Eh | ||||
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_MIN31_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -228.694044200; Eh | ||||
11-Mar-2018 | /PES_3df2p furan_MIN34_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -229.954817896; Eh | ||||
11-Mar-2018 | /PES_3df2p furan_MIN4_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -230.070521148; Eh | ||||
11-Mar-2018 | /PES_3df2p furan_MIN5_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -230.054642628; Eh | ||||
11-Mar-2018 | /PES_3df2p furan_MIN6_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -230.049862408; Eh | ||||
11-Mar-2018 | /PES_3df2p furan_MIN30_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -228.755911716; Eh | ||||
11-Mar-2018 | /PES_3df2p furan_MIN32_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -228.829948230; Eh | ||||
11-Mar-2018 | /PES_3df2p furan_MIN33_3df2p | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -229.957460897; Eh |
Results 1-10 of 64 (Search time: 0.001 seconds).