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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Nov-2022 | isoflucypram_CONF2_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1736.3529987; Eh | |||
 | 9-Sep-2022 | inpyrfluxam_CONF9_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1137.86819486; Eh | |||
 | 9-Sep-2022 | inpyrfluxam_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1137.86823465; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF240_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51230431; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51251379; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF277_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15911848; Eh | |||
 | 14-Dec-2022 | spiroxamine_CONF396_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -912.31365560; Eh | |||
 | 17-Jan-2023 | vernolate_CONF92_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99174813; Eh | |||
 | 11-Oct-2022 | penoxsulam_CONF66_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2166.0531783; Eh | |||
 | 11-Oct-2022 | penoxsulam_CONF67_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2166.0526735; Eh |
Results 50941-50950 of 78833 (Search time: 0.036 seconds).