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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Nov-2024/Pt4-C3N4 Pt4-C3N4-CH2CH2CH3-C1_(H_migration)Pan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--550.18509915; eV
thumbnail.jpeg12-Nov-2024/Pt4-C3N4 Pt4-C3N4-CH2CH2CH3-C1Pan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--549.10705884; eV
thumbnail.jpeg12-Nov-2024/Pt1-C3N4 Pt1-C3N4-TSA-BPan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexImproved Dimer MethodDFT--477.37646464; eV
thumbnail.jpeg12-Nov-2024/Pt1-C3N4 Pt1-C3N4-TSB-CPan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexImproved Dimer MethodDFT--477.05710771; eV
thumbnail.jpeg12-Nov-2024/Pt1-C3N4 Pt1-C3N4-CPan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--477.58197408; eV
thumbnail.jpeg12-Nov-2024/Pt3-Sn-C3N4 Pt3-Sn-C3N4-C3H8-TS2Pan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexImproved Dimer MethodDFT--549.68437144; eV
thumbnail.jpeg12-Nov-2024/Pt3-Sn-C3N4 Pt3-Sn-C3N4-C3H8-TS1Pan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--549.54752119; eV
thumbnail.jpeg12-Nov-2024/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CH2CH2CH3-C1Pan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--549.86685234; eV
thumbnail.jpeg12-Nov-2024/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CH2CH2CH3-C2Pan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--549.88701611; eV
thumbnail.jpeg12-Nov-2024/Pt4-C3N4 Pt4-C3N4-C3H8-TS2Pan, Jievasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexImproved Dimer MethodDFT--548.88685642; eV
Results 2221-2230 of 2546 (Search time: 0.002 seconds).