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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pefurazoate_CONF346_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01545686; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF26_water | Pla Terrada, Paula | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1646.119054; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF33_water | Pla Terrada, Paula | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1646.1167637; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF351_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01382624; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF364_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01469926; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF401_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01612059; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF507_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63864223; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF642_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63818132; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF677_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63986832; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF738_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63668310; Eh |
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