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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/Charged_Fragments/DFT CBD_Ag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.68149485; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBC_Ag_231frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -733.32958823; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT Isoprene | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -194.02995664; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT Ag_isoprene | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -379.75531109; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT 1_heptyne | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -272.10510196; 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 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 1_heptyne | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -273.92596377; Eh |
Results 521-528 of 528 (Search time: 0.001 seconds).
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Subject
- 473 cannabinoid
- 473 silver
- 473 THC
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- 528 Orca
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- 266 DLPNO-CCSD(T)