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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Apr-2020TS2Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1998.71424446; Eh
thumbnail.jpeg28-Apr-2020TS4Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1916.68733140; Eh
thumbnail.jpeg28-Apr-2020TS3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1916.67830272; Eh
thumbnail.jpeg28-Apr-2020TS5Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1997.54407607; Eh
thumbnail.jpeg28-Apr-2020TS-assoc-NH_actGarcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-2163.67092640; Eh
thumbnail.jpeg28-Apr-2020TS-BH_actGarcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.47292821; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PPh3/PPh3+Ph-rad_TS PPh3+Ph-rad_TSNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-1266.05023127; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Benzene+Me-rad_TS benzene_Me-rad_TSNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-271.560396688; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_TS_5pos 2iodomxylene+Me_rad_TS_5posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-646.154894134; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_TS_4pos 2iodomxylene+Me_rad_TS_4posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-646.156108412; Eh
Results 71-80 of 133 (Search time: 0.001 seconds).