Browsing by Subject Ion Mobility

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Showing results 1 to 20 of 45  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Aug-20223-Bromoquinoline_ACN_1aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3108.72932812; Eh
thumbnail.jpeg5-Aug-20223-Bromoquinoline_ACN_1bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-3108.71163857; Eh
thumbnail.jpeg5-Aug-20223-Bromoquinoline_ACN_2aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3241.50772352; Eh
thumbnail.jpeg5-Aug-20223-Bromoquinoline_ACN_2bHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3241.50761826; Eh
thumbnail.jpeg5-Aug-20223-Bromoquinoline_ACN_2cHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3241.50917842; Eh
thumbnail.jpeg5-Aug-20223-Bromoquinoline_ACN_2dHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3241.50597100; Eh
thumbnail.jpeg5-Aug-20223-Bromoquinoline_ACN_3aHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization-def2-TZVPP-3374.28374381; Eh
thumbnail.jpeg5-Aug-20223-BrQ_ACN_0_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-2971.69203572; Eh
thumbnail.jpeg5-Aug-20223-BrQ_ACN_1a_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-3103.69908682; Eh
thumbnail.jpeg5-Aug-20223-BrQ_ACN_1b_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-3103.68393095; Eh
thumbnail.jpeg5-Aug-20223-BrQ_ACN_2a_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-3235.69003555; Eh
thumbnail.jpeg5-Aug-20223-BrQ_ACN_2b_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-3235.69078104; Eh
thumbnail.jpeg5-Aug-20223-BrQ_ACN_2c_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-3235.69263206; Eh
thumbnail.jpeg5-Aug-20223-BrQ_ACN_2d_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-3235.68926190; Eh
thumbnail.jpeg5-Aug-20223-BrQ_ACN_3a_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-3367.68083352; Eh
thumbnail.jpeg5-Aug-2022ACNHaack, AlexanderOrca; 5.0.1; RELEASEGeometry optimization Minimum-def2-TZVPP-132.76017161; Eh
thumbnail.jpeg5-Aug-2022ACNHaack, AlexanderOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-132.76389573; Eh
thumbnail.jpeg5-Aug-2022ACN_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-131.97898275; Eh
thumbnail.jpeg5-Aug-2022ACN_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-131.97898275; Eh
thumbnail.jpeg5-Aug-2022Me4N_ACN_0aHaack, AlexanderOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-214.18319590; Eh