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Showing results 41 to 60 of 507 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Mar-2023CBC_177Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82650370; Eh
thumbnail.jpeg15-Mar-2023CBC_177Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76336179; Eh
thumbnail.jpeg15-Mar-2023CBC_190Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82707147; Eh
thumbnail.jpeg15-Mar-2023CBC_190Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76335377; Eh
thumbnail.jpeg15-Mar-2023CBC_3058Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82614589; Eh
thumbnail.jpeg15-Mar-2023CBC_3058Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76479452; Eh
thumbnail.jpeg15-Mar-2023CBC_307Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82601402; Eh
thumbnail.jpeg15-Mar-2023CBC_307Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.75896366; Eh
thumbnail.jpeg15-Mar-2023CBC_31Ieritano, ChristianOrca; 5.0.3; RELEASEGeometry optimization Minimum-def2-TZVPP-968.82700924; Eh
thumbnail.jpeg15-Mar-2023CBC_31Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-962.76062793; Eh
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
Showing results 41 to 60 of 507 < previous   next >