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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF135_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 | -1677.1874683; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF153_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 | -1677.1577649; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF156_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 | -1677.1577681; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF180_water | 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 | -1677.1914584; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF182_water | 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 | -1677.1914183; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF180_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 | -1677.1873445; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF179_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 | -1677.187344; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF176_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 | -1677.1862182; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF169_water | 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 | -1677.1879634; Eh | |||
 | 11-Oct-2022 | iodosulfuron_methyl_Na_CONF134_water | 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 | -1677.1897911; Eh |
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- 631 RB3LYP