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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required9-Jun-2026/high-field_ESIneg Vanillin_C1Haack, Alexander; Ieritano, ChristianOrca; 6.0.1; RELEASEGeometry optimization MinimumDFTdef2-TZVPP; def2/J-534.82277229452598; Eh
thumbnail.jpeg13-Jun-2026/H2O SF5Staffane-Cation-H2OVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization Minimumwb97xd; nosymmDEF2SVP-871.770913757; Eh
thumbnail.jpeg13-Jun-2026/MeCN SF5Staffane-Cation-MeCNVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization Minimumwb97xdDEF2SVP-871.769630636; Eh
thumbnail.jpeg13-Jun-2026/H2O SF5Staffane-36-H2OVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization Minimumwb97xd; nosymmDEF2SVP-1768.63428896; Eh
thumbnail.jpeg13-Jun-2026/MeCN SF5Staffane-36-MeCNVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization Minimumwb97xdDEF2SVP-1768.63406552; Eh
thumbnail.jpeg13-Jun-2026/MeCN SF5BCP-Cation-MeCNVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization Minimumwb97xdDEF2SVP-677.879045572; Eh
thumbnail.jpeg13-Jun-2026/H2O SF5Staffane-TS-H2OVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization TSwb97xdDEF2SVP-1768.57476501; Eh
thumbnail.jpeg13-Jun-2026/MeCN SF5BCP-35-MeCNVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization Minimumwb97xdDEF2SVP-1574.74529952; Eh
thumbnail.jpeg13-Jun-2026/MeCN SF5BCP-TS-MeCNVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization TSwb97xdDEF2SVP-1574.68305839; Eh
thumbnail.jpeg13-Jun-2026/MeCN SF5anion-MeCNVu, TysonGaussian; 16; ES64L-G16RevC.01Geometry optimization Minimumwb97xdDEF2SVP-896.806202042; Eh
Results 400071-400080 of 403353 (Search time: 0.199 seconds).