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Showing results 590 to 609 of 1586 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-2-int1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUwB97XD6-31G(D,P) GEN-1217.88723136; Eh
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-2-int3oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUwB97XD6-31G(D,P) GEN-1217.90672177; Eh
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-2-singlet-int1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUwB97XD6-31G(D,P) GEN-1217.94005383; 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-S10_S2-triplet s2-singlet-int1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-1217.88318809; Eh
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-S9_S8-triplet s8-singlet-INT1nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3606.96008761; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-int1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3606.94918634; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-INT2nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3606.95801998; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-INT2oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3606.95062437; 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
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-TS2nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-3606.95307764; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-TS2oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GEN-3606.94356200; 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-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-triplet-INT1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUwB97XD6-31G(D,P) GEN-3606.94058522; Eh