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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/DFT AgMe | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -186.91402576; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/DFT Ag_isoprene | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -382.25685631; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/DFT AgH | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -147.59483803; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/DFT 2_Me_2-6_octadiene | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -352.59141182; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/DFT 2_Me_2-6_octadiene_Ag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -498.86547859; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/DFT 1_heptyne | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -273.92596377; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/DFT 1_heptyne_6_ene | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -272.68364821; Eh |
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