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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2024 | GEOM16_Substrate | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | DEF2SVP | -745.609927812; Eh | |||
 | 28-Feb-2024 | GEOM13_Base_HCO3_1- | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | DEF2SVP | -264.352925428; Eh | |||
 | 28-Feb-2024 | GEOM15_Fluoroethoxide | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | DEF2SVP | -451.920768245; Eh | |||
 | 28-Feb-2024 | GEOM09_Product | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | DEF2SVP | -1196.84447154; Eh | |||
 | 28-Feb-2024 | GEOM12_Base_CO3_2- | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | DEF2SVP | -263.794558750; Eh | |||
 | 28-Feb-2024 | GEOM06_LigandExchange_Ni4 | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | DEF2SVP | -2837.69275765; Eh | |||
 | 28-Feb-2024 | GEOM14_Acetonitrile | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | DEF2SVP | -132.663115605; Eh | |||
 | 28-Feb-2024 | GEOM11_Ferrocene | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | DEF2SVP | -1650.65660614; Eh |
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