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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Sep-2022 | orthosulfamuron_CONF437_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) | -1800.4133979; Eh | |||
 | 10-Sep-2022 | nicosulfuron_CONF26_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) | -1761.1001151; Eh | |||
 | 10-Sep-2022 | nicosulfuron_CONF54_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) | -1761.1001234; Eh | |||
 | 10-Sep-2022 | nicosulfuron_CONF9_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) | -1761.0947033; Eh | |||
 | 10-Sep-2022 | orthosulfamuron_CONF435_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) | -1800.4133962; Eh | |||
 | 10-Sep-2022 | nicosulfuron_CONF55_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) | -1761.1001179; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF146_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN | -1677.157777; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF152_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN | -1677.1577755; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF140_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN | -1677.1577679; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF137_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN | -1677.1874642; Eh |
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