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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-singlet-ts1nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-1217.85192817; Eh
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-singlet-ts1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-1217.85999853; Eh
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-2-ts1nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUwB97XD6-31G(D,P) GEN-1217.86175039; Eh
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-2-ts1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUwB97XD6-31G(D,P) GEN-1217.87767244; Eh
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-2-ts2oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUwB97XD6-31G(D,P) GEN-1217.87784590; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-TS3oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-3606.94136830; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-TS3nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-3606.95139578; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-triplet-TS1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUwB97XD6-31G(D,P) GEN-3606.90096380; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-TS1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-3606.89614257; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-TS1nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-3606.89614257; Eh
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