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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Mar-2023 | Delta8_THC_Ag_Iso1_26 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66096767; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_20 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70972348; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_11 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71268126; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_26 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71247395; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_29 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71159035; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_23 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71299159; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_27 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70992620; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso3_9 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66945669; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso3_2 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67170352; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_39 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66012754; Eh |
Results 401-410 of 2010 (Search time: 0.001 seconds).
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Subject
- 473 cannabinoid
- 473 silver
- 473 THC
- 309 collision cross section
- 309 high-field mobility
- 309 ion mobility
- 309 MobCal
- 309 trajectory method
- 309 two-temperature theory
- 305 Silver
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Method
- 443 DLPNO-CCSD(T)
- 11 DFT
- 8 HFTyp
- 8 UHF
- 4 dlpno-ccsd(t)
- 3 RwB97XD
- 2 UwB97XD