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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/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 |
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- 238 cannabinoid
- 238 silver
- 238 THC
- 140 Silver
- 140 Tautomerism
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- 443 Orca
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- 443 Single point