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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 exo_THC_Ag_219frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -690.91956222; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT exo_THC_Ag_217frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -689.73710400; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT Delta9_THC_Ag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70781207; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT Delta9_THC_Ag_313frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.00365216; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT Delta9_THC_Ag_217frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -689.75587237; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT Delta8_THC_Ag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71064390; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT Delta8_THC_Ag_245frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -767.80638502; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBN_Ag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39924272; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBN_Ag_frag295 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -920.64375749; Eh | |||
 | 2-May-2023 | /CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBG_Ag_299frag | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -759.60493433; Eh |
Results 241-250 of 266 (Search time: 0.001 seconds).
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Subject
- 238 cannabinoid
- 238 silver
- 238 THC
Method
- 266 DLPNO-CCSD(T)