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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Mar-2023Delta8_THC_Ag_Iso1_20Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1108.70972348; Eh
thumbnail.jpeg15-Mar-2023Delta8_THC_Ag_Iso1_11Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1108.71268126; Eh
thumbnail.jpeg15-Mar-2023Delta8_THC_Ag_Iso3_12Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66695861; Eh
thumbnail.jpeg15-Mar-2023Delta8_THC_Ag_Iso3_18Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66552166; Eh
thumbnail.jpeg15-Mar-2023Delta8_THC_Ag_Iso3_16Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66740442; Eh
thumbnail.jpeg15-Mar-2023Delta8_THC_Ag_Iso3_1Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66851056; Eh
thumbnail.jpeg15-Mar-2023Delta8_THC_Ag_Iso3_9Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66945669; Eh
thumbnail.jpeg15-Mar-2023Delta8_THC_Ag_Iso3_2Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.67170352; Eh
thumbnail.jpeg15-Mar-2023Delta9_THC_Ag_Iso1_144Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66296663; Eh
thumbnail.jpeg15-Mar-2023Delta9_THC_Ag_Iso1_19Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.65933432; Eh
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