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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/CCSDT CBG_Ag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.88549078; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBG_Ag_193frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -614.04768992; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBD_Ag_frag355 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -914.62758892; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBD_Ag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70829012; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBD_Ag_231frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -728.83622117; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBC_Ag_231frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -728.88659420; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBC_Ag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70425658; 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 Isoprene_AgH | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -340.71401994; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT AgMe | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -185.70567517; Eh |
Results 251-260 of 266 (Search time: 0.002 seconds).
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Subject
- 238 cannabinoid
- 238 silver
- 238 THC
Method
- 266 DLPNO-CCSD(T)