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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2022 | cloransulam_methyl_CONF288_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70137472; Eh | |||
 | 11-Oct-2022 | cloransulam_methyl_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.66890570; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70142015; Eh | |||
 | 11-Oct-2022 | cloransulam_methyl_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.66882527; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70175844; Eh | |||
 | 11-Oct-2022 | cloransulam_methyl_CONF29_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2188.1056559; Eh | |||
 | 11-Oct-2022 | cloransulam_methyl_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.67163795; Eh | |||
 | 11-Oct-2022 | cloransulam_methyl_CONF302_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.67004641; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF302_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70305520; Eh | |||
 | 11-Oct-2022 | cloransulam_methyl_CONF303_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.67044469; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF303_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70451828; Eh | |||
 | 11-Oct-2022 | cloransulam_methyl_CONF309_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.66867934; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF309_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70185518; Eh | |||
 | 11-Oct-2022 | cloransulam_methyl_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.67171910; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70246732; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF313_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.67071077; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF313_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70364858; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF314_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.67001861; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF314_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.70223795; Eh | |||
 | 10-Oct-2022 | cloransulam_methyl_CONF315_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2187.67043471; Eh |