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Showing results 21 to 40 of 473 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Mar-2023CBC_644Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82564320; Eh
thumbnail.jpeg15-Mar-2023CBC_644Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76484437; Eh
thumbnail.jpeg15-Mar-2023CBC_7Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.75619809; Eh
thumbnail.jpeg15-Mar-2023CBC_7Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82618873; Eh
thumbnail.jpeg15-Mar-2023CBC_758Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82562299; Eh
thumbnail.jpeg15-Mar-2023CBC_758Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76014082; Eh
thumbnail.jpeg15-Mar-2023CBC_785Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82286611; Eh
thumbnail.jpeg15-Mar-2023CBC_785Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.75483006; Eh
thumbnail.jpeg15-Mar-2023CBC_824Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76926123; Eh
thumbnail.jpeg15-Mar-2023CBC_824Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.83081524; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_1Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66487315; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_1Ieritano, ChristianOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1108.69978179; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_10Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66689295; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_10Ieritano, ChristianOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1108.70272350; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_100Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.67235700; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_100Ieritano, ChristianOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1108.70623183; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_103Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.65525498; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_103Ieritano, ChristianOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1108.69472809; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_105Ieritano, ChristianOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1115.66023359; Eh
thumbnail.jpeg15-Mar-2023CBC_Ag_Iso1_105Ieritano, ChristianOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1108.69772706; Eh
Showing results 21 to 40 of 473 < previous   next >